SCHEMBL8083841

SCHEMBL8083841

S=P([S-])(Oc1ccccc1)Oc1ccccc1.[Na+]

nearest known ligand 0.44

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 13)

geneUniProtsupporting neighboursconfidence
CA4 known ✓ P22748 1/20 0.36
SRC P12931 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
LTA4H P09960 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
HTT P42858 1/20 0.35
KCNA3 P22001 1/20 0.33
LMNA P02545 1/20 0.33

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
Potassium Ion SCHEMBL11662874 0.95 SRC (0.44) SRCL3MBTL1TDP1LTA4HTSHR
SCHEMBL2818993 0.95 SRC (0.44) SRCL3MBTL1TDP1LTA4HTSHR
SCHEMBL9851832 0.95 SRC (0.44) SRCL3MBTL1TDP1LTA4HTSHR
SCHEMBL5161238 0.95 SRC (0.44) SRCL3MBTL1TDP1LTA4HTSHR
Zinc Ion SCHEMBL731771 0.95 SRC (0.44) SRCL3MBTL1TDP1LTA4HTSHR
SCHEMBL10824057 0.91 SRC (0.46) SRCL3MBTL1TDP1LTA4HTSHR
SCHEMBL11661895 0.77 SRC (0.46) SRCL3MBTL1TDP1LTA4HTSHR
SCHEMBL11663521 0.76 MEN1 (0.48) L3MBTL1LTA4HMEN1KMT2AHTT
SCHEMBL11657700 0.76 CYP3A4 (0.52) TDP1TSHRMEN1KMT2ALMNA
SCHEMBL11662056 0.76 MAPT (0.37) MEN1KMT2ALMNA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0514649-B1 Stabilization of aqueous solutions of watersoluble polymers in the presence of hydroxylamine CYTEC TECH CORP (US) 2000-10-25 EP disclosed
EP-0514649-A1 Stabilization of aqueous polymers in the presence of hydroxylamine CYTEC TECHNOLOGY CORP. (US) 1992-11-25 EP disclosed
US-4502972-A ETHYLENE-PROPYLENE-DIENE TERPOLYMER ETHYL CORPORATION (US) 1985-03-05 US disclosed
US-4099954-A Amide phosphorothiolate herbicides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1978-07-11 US disclosed