SCHEMBL1244154

SCHEMBL1244154

CN(C)c1ccccc1.[N-]=[N+]S(=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
CA12 known ✓ O43570 4/20 0.50
CA2 known ✓ P00918 3/20 0.50
CA1 known ✓ P00915 2/20 0.39
CA4 known ✓ P22748 2/20 0.39
CA9 Q16790 4/20 0.50
ALDH1A1 P00352 5/20 0.43
ALOX15 P16050 3/20 0.43
TSHR P16473 3/20 0.43
RAB9A P51151 2/20 0.40
HPGD P15428 2/20 0.40
NPC1 O15118 1/20 0.40
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 1/20 0.40
HSD17B10 Q99714 3/20 0.39
KDM4E B2RXH2 1/20 0.39
CNR2 P34972 1/20 0.39
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
RELA Q04206 1/20 0.38
MEN1 O00255 2/20 0.38

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
SCHEMBL7806641 0.84 CA12 (0.57) CA12CA9CA2ALDH1A1ALOX15
SCHEMBL30882073 0.76 ALDH1A1 (0.56) CA12CA9CA2ALDH1A1ALOX15
SCHEMBL16968444 0.74 ALDH1A1 (0.48) ALDH1A1ALOX15TSHRRAB9AHPGD
SCHEMBL27273951 0.74 RAB9A (0.48) CA12CA9CA2ALDH1A1ALOX15
Sulfuric Acid SCHEMBL4958447 0.74 HPGD (0.54) CA12CA9CA2ALDH1A1ALOX15
Water SCHEMBL10540128 0.73 ALDH1A1 (0.59) CA12CA9CA2ALDH1A1ALOX15
SCHEMBL16187039 0.73
SCHEMBL21208167 0.73 ALDH1A1 (0.67) CA12CA9CA2ALDH1A1ALOX15
SCHEMBL8277 0.73
SCHEMBL7879117 0.73

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 171 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080108916-A1 METHOD OF USING ULTRASONIC VIBRATION TO SECURE BODY TISSUE WITH FASTENING ELEMENT STARBOARD VALUE INTERMEDIATE FUND LP, AS COLLATERAL AGENT 2008-05-08 US claimed
US-4915944-A PROTECTIVE AGAINST SOIL-BORNE PHYTOPATHOGENS YISSUM RESEARCH DEVELOPMENT CORP. OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 1990-04-10 US claimed
EP-0133878-B1 NOVEL ISOLATES OF TRICHODERMA, FUNGICIDAL COMPOSITIONS CONTAINING SAID ISOLATES AND USE THEREOF YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 1990-03-14 EP claimed
US-4713342-A Novel isolate of trichoderma, fungicidal compositions containing said isolate and use thereof YISSUM RESEARCH DEVELOPMENT CO. OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 1987-12-15 US claimed
EP-0133878-A1 Novel isolates of trichoderma, fungicidal compositions containing said isolates and use thereof YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 1985-03-13 EP claimed
US-20190298331-A1 METHOD AND DEVICE FOR SECURING BODY TISSUE P TECH, LLC 2019-10-03 US disclosed
US-20180368826-A1 DEVICE AND METHOD FOR SECURING BODY TISSUE MARCTEC, LLC 2018-12-27 US disclosed
US-9986994-B2 Method and device for securing body tissue P TECH, LLC (US) 2018-06-05 US disclosed
US-9980717-B2 Device and method for securing body tissue P TECH, LLC (US) 2018-05-29 US disclosed
US-20180132844-A1 METHOD AND DEVICE FOR SECURING BODY TISSUE BONUTTI 2003 TRUST 2018-05-17 US disclosed
US-20180133974-A1 METHOD OF USING ULTRASONIC VIBRATION TO SECURE BODY TISSUE BONUTTI, PETER M 2018-05-17 US disclosed
US-9888916-B2 Method and device for securing body tissue P TECH, LLC (US) 2018-02-13 US disclosed
US-3981860-A PLANT GROWTH REGULATORS, HERBICIDES HOFFMANN-LA ROCHE INC. (US) 1976-09-21 US disclosed
US-3961050-A Insecticidal compositions and methods of killing insects using benzylthiomethylenephosphonamidates and phosphoramidates VELSICOL CHEMICAL CORPORATION (US) 1976-06-01 US disclosed
US-3959478-A Insecticidal 2-phenyl-4-benzoyl-1,2,4-oxadiazolidine-3,5-diones VELSICOL CHEMICAL CORPORATION (US) 1976-05-25 US disclosed
US-3958007-A FUNGICIDES, MITE OVICIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 1976-05-18 US disclosed
US-3950391-A FUNGICIDES, MITICIDES, OVICIDES ADAMS CHARLES D 1976-04-13 US disclosed
US-3948967-A HERBICIDE, FUNGICIDE VELSICOL CHEMICAL CORPORATION (US) 1976-04-06 US disclosed
US-3937824-A COMPOSITIONS AND METHODS OF KILLING INSECTS AND ACARIDS USING ALKOXYIMINO CARBAMOYLOXY PHOSPHORUS COMPOUNDS VELSICOL CHEMICAL CORPORATION (US) 1976-02-10 US disclosed
US-3931149-A PLANT GROWTH REGULATORS HOFFMANN-LA ROCHE INC. (US) 1976-01-06 US disclosed