SCHEMBL9817110

SCHEMBL9817110

COc1ccc(N)cc1S(=O)(=O)[O-].[Na+]

nearest known ligand 0.50

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
P2RY4 known ✓ P51582 2/20 0.42
CA1 known ✓ P00915 1/20 0.41
CA2 known ✓ P00918 1/20 0.41
P2RY2 known ✓ P41231 1/20 0.41
PTGS1 known ✓ P23219 1/20 0.41
PTGS2 known ✓ P35354 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.47
TSHR P16473 2/20 0.47
MAPK1 P28482 2/20 0.47
POLB P06746 1/20 0.47
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 3/20 0.43
USP2 O75604 1/20 0.43
F2 P00734 2/20 0.43
PRSS1 P07477 2/20 0.43
PRSS2 P07478 2/20 0.43
PRSS3 P35030 2/20 0.43
MAPT P10636 3/20 0.42
CYP19A1 P11511 2/20 0.42
GAA P10253 2/20 0.42

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
SCHEMBL11111260 0.82 P2RY12 (0.37) TSHRMAPK1POLBALDH1A1F2
SCHEMBL2650962 0.81 SMN1; SMN2 (0.65) SMN1; SMN2TSHRMAPK1POLBKDM4E
SCHEMBL1805768 0.81 PKM (0.60) SMN1; SMN2TSHRMAPK1KDM4EALDH1A1
SCHEMBL11111261 0.81 GAA (0.40) TSHRMAPK1POLBKDM4EALDH1A1
SCHEMBL31330205 0.80 RAPGEF4 (0.47) SMN1; SMN2TSHRMAPK1POLBKDM4E
SCHEMBL8904758 0.80 TRPV4 (0.51) SMN1; SMN2TSHRMAPK1POLBKDM4E
SCHEMBL158166 0.80 RAPGEF4 (0.47) SMN1; SMN2TSHRMAPK1POLBKDM4E
SCHEMBL9817115 0.79 RAPGEF4 (0.46) SMN1; SMN2TSHRMAPK1POLBKDM4E
SCHEMBL28830227 0.79 ALDH1A1 (0.56) SMN1; SMN2TSHRMAPK1POLBKDM4E
SCHEMBL10641260 0.77 L3MBTL1 (0.68) SMN1; SMN2TSHRMAPK1KDM4EALDH1A1

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

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117143464-A Method for preparing organic pigment easy to disperse in plastic 江苏乾润新材料科技有限公司 2023-12-01 CN claimed
CN-117143464-A Method for preparing organic pigment easy to disperse in plastic 江苏乾润新材料科技有限公司 2023-12-01 CN disclosed
EP-0066282-B2 HEAT-DEVELOPABLE COLOR PHOTOGRAPHIC MATERIALS FUJI PHOTO FILM CO., LTD. (JP) 1991-09-25 EP disclosed
EP-0066282-B1 HEAT-DEVELOPABLE COLOR PHOTOGRAPHIC MATERIALS FUJI PHOTO FILM CO., LTD. (JP) 1986-01-02 EP disclosed
US-4478927-A SILVER HALIDE EMULSION, ORGANIC SILVER SALT, BINDER, AND DYE-RELEASING REDOX COMPOUND; PHOTOTHERMOGRAPHY; STABILITY FUJI PHOTO FILM CO., LTD. (JP) 1984-10-23 US disclosed