SCHEMBL9811094

SCHEMBL9811094

O=C(S)C(c1ccccc1)c1nc2ccccc2s1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.60
CSNK1D P48730 3/20 0.56
CYP1A2 P05177 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
HIF1A Q16665 1/20 0.52
HSD17B10 Q99714 1/20 0.52
ALOX5 P09917 1/20 0.48
NCS1 P62166 1/20 0.47
MAPK1 P28482 2/20 0.45
GAA P10253 1/20 0.45
TSHR P16473 1/20 0.45
LOXL2 Q9Y4K0 1/20 0.44
RAB9A P51151 5/20 0.44
ACP1 P24666 1/20 0.44
PTPN7 P35236 1/20 0.44
PTPN12 Q05209 1/20 0.44
PTPN13 Q12923 1/20 0.44
SSU72 Q9NP77 1/20 0.44
APEX1 P27695 1/20 0.43

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
SCHEMBL11585822 0.85 HPGD (0.60) HPGDCSNK1DCYP1A2CYP2C9CYP2C19
SCHEMBL2840140 0.82 CSNK1D (0.60) HPGDCSNK1DCYP1A2CYP2C9CYP2C19
SCHEMBL9811097 0.81 HPGD (0.64) HPGDCSNK1DCYP1A2CYP2C9CYP2C19
SCHEMBL9306298 0.81 HPGD (0.58) HPGDCSNK1DCYP1A2CYP2C9CYP2C19
SCHEMBL11352109 0.80 HPGD (0.57) HPGDCSNK1DCYP1A2CYP2C9CYP2C19
SCHEMBL3060259 0.78 ALOX5 (0.57) HPGDCYP1A2CYP2C9CYP2C19HIF1A
SCHEMBL5687666 0.76 HPGD (0.60) HPGDCSNK1DCYP1A2CYP2C9CYP2C19
SCHEMBL29241399 0.76 HPGD (0.60) HPGDCSNK1DCYP1A2CYP2C9CYP2C19
SCHEMBL900511 0.76 HPGD (1.00) HPGDCSNK1DCYP1A2CYP2C9CYP2C19
SCHEMBL5851278 0.75 HPGD (0.69) HPGDCSNK1DCYP1A2CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0161219-B1 HETEROCYCLIC MERCAPTOCARBOXYLIC-ACID ESTERS AND ANHYDRIDES AS CORROSION INHIBITING AGENTS CIBA-GEIGY AG (CH) 1991-06-12 EP disclosed
EP-0161219-A2 Heterocyclic mercaptocarboxylic-acid esters and anhydrides as corrosion inhibiting agents CIBA-GEIGY AG (CH) 1985-11-13 EP disclosed