SCHEMBL6518933

SCHEMBL6518933

N#Cc1ccc(S)c([N+](=O)[O-])c1.[Na+]

nearest known ligand 0.62

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
VCAM1 P19320 4/20 0.62
KAT2B Q92831 1/20 0.47
MAPT P10636 7/20 0.45
MAPK1 P28482 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
GRIN2D O15399 1/20 0.43
GRIN3B O60391 1/20 0.43
GRIN1 Q05586 1/20 0.43
GRIN2A Q12879 1/20 0.43
GRIN2B Q13224 1/20 0.43
GRIN2C Q14957 1/20 0.43
GRIN3A Q8TCU5 1/20 0.43
MERTK Q12866 2/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.41
PKM P14618 1/20 0.41
RAD51 Q06609 1/20 0.40
RAB9A P51151 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL6516751 0.98 VCAM1 (0.64) VCAM1KAT2BMAPTMAPK1TDP1
Zinc Ion SCHEMBL6513181 0.96 VCAM1 (0.62) VCAM1KAT2BMAPTMAPK1TDP1
SCHEMBL6518931 0.96 VCAM1 (0.62) VCAM1KAT2BMAPTMAPK1TDP1
SCHEMBL6513178 0.96 VCAM1 (0.62) VCAM1KAT2BMAPTMAPK1TDP1
SCHEMBL6518935 0.96 VCAM1 (0.62) VCAM1KAT2BMAPTMAPK1TDP1
SCHEMBL4477143 0.81 VCAM1 (0.70) VCAM1KAT2BMAPTMAPK1TDP1
SCHEMBL8143514 0.78 VCAM1 (0.66) VCAM1KAT2BMAPTMAPK1TDP1
SCHEMBL323126 0.76 VCAM1 (0.64) VCAM1KAT2BMAPTMAPK1TDP1
SCHEMBL4056837 0.76 VCAM1 (0.64) VCAM1KAT2BMAPTMAPK1TDP1
SCHEMBL7983550 0.76 VCAM1 (0.64) VCAM1KAT2BMAPTMAPK1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2656882-B1 Golf ball SUMITOMO RUBBER IND (JP) 2021-06-09 EP disclosed
EP-3292893-B1 GOLF BALL SUMITOMO RUBBER IND (JP) 2021-06-09 EP disclosed
EP-3156441-B1 GOLF BALL SUMITOMO RUBBER IND (JP) 2020-11-25 EP disclosed
EP-3329971-B1 GOLF BALL SUMITOMO RUBBER IND (JP) 2020-11-18 EP disclosed
EP-2666521-B1 Golf ball SUMITOMO RUBBER IND (JP) 2020-09-02 EP disclosed
EP-2669326-B1 Golf ball SUMITOMO RUBBER IND (JP) 2019-06-12 EP disclosed
US-10286258-B2 Golf ball SUMITOMO RUBBER INDUSTRIES, LTD. (JP) 2019-05-14 US disclosed
US-10272296-B2 Golf ball SUMITOMO RUBBER INDUSTRIES, LTD. (JP) 2019-04-30 US disclosed
US-10265585-B2 Golf ball SUMITOMO RUBBER INDUSTRIES, LTD. (JP) 2019-04-23 US disclosed
EP-3329971-A1 GOLF BALL Dunlop Sports Co., Ltd. (JP) 2018-06-06 EP disclosed
US-20130005506-A1 GOLF BALL SUMITOMO RUBBER INDUSTRIES, LTD. (JP) 2013-01-03 US disclosed
US-20130005508-A1 GOLF BALL DUNLOP SPORTS CO. LTD. (JP) 2013-01-03 US disclosed
US-20130005507-A1 GOLF BALL SUMITOMO RUBBER INDUSTRIES, LTD. (JP) 2013-01-03 US disclosed
US-20130005505-A1 GOLF BALL SUMITOMO RUBBER INDUSTRIES, LTD. (JP) 2013-01-03 US disclosed
US-20120172149-A1 GOLF BALL SRI SPORTS LIMITED (JP) 2012-07-05 US disclosed
US-20120172150-A1 GOLF BALL SRI SPORTS LIMITED (JP) 2012-07-05 US disclosed
US-20120142453-A1 GOLF BALL SRI SPORTS LIMITED (JP) 2012-06-07 US disclosed
US-6919393-B2 Solid golf ball SRI SPORTS LIMITED (JP) 2005-07-19 US disclosed
US-20030144425-A1 Solid golf ball SUMITOMO RUBBER INDUSTRIES, LTD. (JP) 2003-07-31 US disclosed
US-20030144427-A1 Solid golf ball SUMITOMO RUBBER INDUSTRIES, LTD. (JP) 2003-07-31 US disclosed