SCHEMBL20450

SCHEMBL20450

CN(C)c1ccc(/N=N/S(=O)(=O)[O-])cc1.[Na+]

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 known ✓ O43570 4/20 0.59
CA2 known ✓ P00918 4/20 0.59
PTGS2 known ✓ P35354 2/20 0.43
PTGS1 known ✓ P23219 1/20 0.43
CA1 known ✓ P00915 1/20 0.43
ALDH1A1 P00352 5/20 1.00
TSHR P16473 4/20 1.00
ALOX15 P16050 3/20 1.00
NPC1 O15118 6/20 0.59
RAB9A P51151 5/20 0.59
KMT2A Q03164 5/20 0.59
CA9 Q16790 4/20 0.59
MEN1 O00255 4/20 0.59
POLB P06746 2/20 0.59
F2 P00734 3/20 0.51
PRSS1 P07477 3/20 0.51
PRSS2 P07478 3/20 0.51
PRSS3 P35030 3/20 0.51
HSD17B10 Q99714 4/20 0.50
MAPK1 P28482 3/20 0.50

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3716417 1.00 ALDH1A1 (1.00) ALDH1A1TSHRALOX15NPC1RAB9A
SCHEMBL11425495 1.00 ALDH1A1 (1.00) ALDH1A1TSHRALOX15NPC1RAB9A
Water SCHEMBL14994023 0.98 ALDH1A1 (0.96) ALDH1A1TSHRALOX15NPC1RAB9A
Formaldehyde SCHEMBL18642101 0.96 ALDH1A1 (0.93) ALDH1A1TSHRALOX15NPC1RAB9A
SCHEMBL7769594 0.89 ALDH1A1 (0.79) ALDH1A1TSHRALOX15NPC1RAB9A
Tetrahydrofuran SCHEMBL7765146 0.88 ALDH1A1 (0.77) ALDH1A1TSHRALOX15NPC1RAB9A
SCHEMBL17374829 0.85 ALDH1A1 (0.73) ALDH1A1TSHRALOX15NPC1RAB9A
SCHEMBL7946467 0.84 ALDH1A1 (0.71) ALDH1A1TSHRALOX15NPC1RAB9A
Diethyl Pyrocarbonate SCHEMBL2316455 0.82 ALDH1A1 (0.68) ALDH1A1TSHRALOX15NPC1RAB9A
Valine SCHEMBL18427909 0.82 ALDH1A1 (0.68) ALDH1A1TSHRALOX15NPC1RAB9A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Appears in 20908 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260137082-A1 FUNGICIDAL COMPOSITIONS COMPRISING FLUDIOXONIL SYNGENTA CROP PROTECTION AG (CH) 2026-05-21 US claimed
EP-4658805-A1 METHODS FOR IDENTIFYING HERBICIDAL COMPOUNDS Syngenta Crop Protection AG (CH) 2025-12-10 EP claimed
EP-3060043-B1 PESTICIDAL COMPOSITIONS AND RELATED METHODS CORTEVA AGRISCIENCE LLC (US) 2025-11-26 EP claimed
EP-3578542-B1 COMPOSITIONS HAVING PESTICIDAL UTILITY AND PROCESSES RELATED THERETO CORTEVA AGRISCIENCE LLC (US) 2025-11-12 EP claimed
EP-3578543-B1 COMPOSITIONS COMPRISING MOLECULES HAVING PESTICIDAL UTILITY AND PROCESSES RELATED THERETO CORTEVA AGRISCIENCE LLC (US) 2025-08-20 EP claimed
EP-3578541-B1 COMPOSITIONS COMPRISING MOLECULES HAVING PESTICIDAL UTILITY, AND PROCESSES RELATED THERETO CORTEVA AGRISCIENCE LLC (US) 2025-05-28 EP claimed
US-20250017207-A1 FUNGICIDAL COMPOSITIONS SYNGENTA CROP PROTECTION AG (CH) 2025-01-16 US claimed
US-20240415766-A1 Preparation method of voriconazole hydrogel and eye drops using the same EYE INSTITUTE OF SHANDONG FIRST MEDICAL UNIV SHANDONG EYE INSTITUTE QINGDAO EYE HOSPITAL (CN) 2024-12-19 US claimed
EP-4427835-A1 CARBON CAPTURE SOLVENTS AND METHODS FOR USING SUCH SOLVENTS Carbon Clean Solutions Limited (GB) 2024-09-11 EP claimed
EP-4422402-A1 FUNGICIDAL COMPOSITIONS COMPRISING FLUDIOXONIL Syngenta Crop Protection AG (CH) 2024-09-04 EP claimed
CN-1058127-A Sweet single-grain kind coated formula and art for coating AGRICULTURAL RACLAMATION SCIEN (CN) 1992-01-29 CN claimed
CN-1054170-A Fertile rotaring gene paddy quasi-plant BIOTEKNIKA INTERNATIONAL (US) 1991-09-04 CN claimed
US-5033484-A Cellulose acetate H.F. & PH.F. REEMTSMA GMBH & CO. (DE) 1991-07-23 US claimed
CN-1012553-B FORMULATION OF SERIES PRODUCTS OF SEED COATING AGENT AND PROCESSING UNIV BEIJING AGRICULT (CN) 1991-05-08 CN claimed
US-4954441-A CORYNEBACTERIUM OR BREVIBACTERIUM KYOWA HAKKO KOGYO CO. LTD. (JP) 1990-09-04 US claimed
EP-0368065-A1 Aerated filter cigarette H.F. & Ph.F. Reemtsma GmbH & Co (DE) 1990-05-16 EP claimed
CN-1038465-A The method of the excessive generation of inducing lysine in plant MOLECULAR GENETICS RES & DEV (US) 1990-01-03 CN claimed
EP-0152993-B1 MOULD ARRANGEMENT FOR USE IN A CYCLICLY OPERATING GLASSWARE FORMING MACHINE EMHART INDUSTRIES, INC. (US) 1988-03-09 EP claimed
CN-86100095-A Plant clothing agent series products prescription and production technology thereof 1987-10-07 CN claimed
EP-0239508-A2 2-Cyano-benzimidazole derivatives, their preparation and use as fungicides, their association with other fungicides RHONE-POULENC AGROCHIMIE (FR) 1987-09-30 EP claimed