SCHEMBL9811250

SCHEMBL9811250

OC(=S)C(c1ccccc1)C(C(O)=S)(c1ccccc1)c1nc2ccccc2s1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.43
▸ CASR P41180 11/20 0.40
▸ MAPK1 P28482 2/20 0.38
▸ CSNK1D P48730 2/20 0.38
▸ MAPT P10636 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ NCS1 P62166 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ ACP1 P24666 1/20 0.34
▸ PTPN7 P35236 1/20 0.34
▸ PTPN12 Q05209 1/20 0.34
▸ PTPN13 Q12923 1/20 0.34
▸ SSU72 Q9NP77 1/20 0.34

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
SCHEMBL9811254 0.90 CSNK1D (0.41) HPGDCASRMAPK1CSNK1DMAPT
SCHEMBL9811078 0.89 CASR (0.42) HPGDCASRMAPK1MAPTMEN1
SCHEMBL11019041 0.84 ACP1 (0.40) CASRSMN1; SMN2ALDH1A1GAAACP1
SCHEMBL9811082 0.80 ACP1 (0.41) HPGDCASRMAPTMEN1NPC1
SCHEMBL11019045 0.76 ACP1 (0.43) CASRNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL11018730 0.72 NPC1 (0.33) HPGDMAPTMEN1NPC1LMNA
SCHEMBL11019321 0.72 NPSR1 (0.43) HPGDMAPTNPC1RAB9AKMT2A
SCHEMBL9811014 0.69 CASR (0.47) HPGDCASRMAPK1MAPTMEN1
SCHEMBL9810995 0.68 CASR (0.40) HPGDCASRMAPK1CSNK1DMAPT
SCHEMBL29449583 0.67 CASR (0.52) HPGDCASRMAPTNPC1RAB9A

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
Send feedback