SCHEMBL6512645

SCHEMBL6512645

O=C(O)c1ccc(S)c([N+](=O)[O-])c1.[Na+]

nearest known ligand 0.70

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 5)

geneUniProtsupporting neighboursconfidence
CASP6 P55212 1/20 0.70
TSHR P16473 2/20 0.64
LMNA P02545 1/20 0.64
HCAR3 P49019 13/20 0.58
APEX1 P27695 1/20 0.54

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
SCHEMBL6515592 0.98 CASP6 (0.72) CASP6TSHRLMNAHCAR3APEX1
SCHEMBL6512633 0.96 CASP6 (0.70) CASP6TSHRLMNAHCAR3APEX1
Zinc Ion SCHEMBL6523817 0.96 CASP6 (0.70) CASP6TSHRLMNAHCAR3APEX1
SCHEMBL6523810 0.96 CASP6 (0.70) CASP6TSHRLMNAHCAR3APEX1
SCHEMBL6512650 0.96 CASP6 (0.70) CASP6TSHRLMNAHCAR3APEX1
SCHEMBL6512637 0.87 CASP6 (0.53) CASP6TSHRLMNAHCAR3APEX1
SCHEMBL6513141 0.86 PARP1 (0.63) CASP6TSHRLMNA
SCHEMBL6520357 0.86 CASP6 (0.51) CASP6TSHRLMNAHCAR3APEX1
SCHEMBL9112651 0.86 MAPT (0.52) CASP6TSHRLMNAHCAR3
SCHEMBL23699471 0.85 CASP6 (0.70) CASP6TSHRLMNAHCAR3APEX1

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-3292893-B1 GOLF BALL SUMITOMO RUBBER IND (JP) 2021-06-09 EP disclosed
EP-2656882-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-20130005508-A1 GOLF BALL DUNLOP SPORTS CO. LTD. (JP) 2013-01-03 US disclosed
US-20130005506-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-20130005507-A1 GOLF BALL SUMITOMO RUBBER INDUSTRIES, LTD. (JP) 2013-01-03 US disclosed
US-20120172150-A1 GOLF BALL SRI SPORTS LIMITED (JP) 2012-07-05 US disclosed
US-20120172149-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