SCHEMBL4633971

SCHEMBL4633971

O=C(O)c1sc2ccccc2c1OC(CS(=O)(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.46
PTPN2 P17706 1/20 0.42
PTPN1 P18031 1/20 0.42
MCL1 Q07820 5/20 0.41
EDNRA P25101 2/20 0.40
KMT2A Q03164 3/20 0.37
ALDH1A1 P00352 2/20 0.37
LMNA P02545 2/20 0.37
BCL2 P10415 2/20 0.35
BCL2L1 Q07817 2/20 0.35
BAD Q92934 2/20 0.35
F9 P00740 1/20 0.35
F10 P00742 1/20 0.35
PLAU P00749 1/20 0.35
CXCR2 P25025 1/20 0.34
PRNP P04156 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
NOD2 Q9HC29 1/20 0.34
MAPK1 P28482 1/20 0.33
KEAP1 Q14145 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
SCHEMBL4633550 0.87 LMNA (0.55) HSD11B1KMT2AALDH1A1LMNANOD2
SCHEMBL4603287 0.76 HSD11B1 (0.33) HSD11B1ALDH1A1
SCHEMBL2214437 0.73 EDNRA (0.62) PTPN2PTPN1MCL1EDNRAKMT2A
SCHEMBL4633967 0.72 HSD11B1 (0.46) HSD11B1PTPN2PTPN1MCL1EDNRA
SCHEMBL1098130 0.68 MCL1 (0.57) PTPN2PTPN1MCL1EDNRAKMT2A
SCHEMBL4632959 0.68 EDNRA (0.47) PTPN2PTPN1MCL1EDNRAKMT2A
SCHEMBL24503498 0.67 PABPC1 (0.48) HSD11B1KMT2AALDH1A1LMNA
SCHEMBL11844857 0.67 PTPN1 (0.76) PTPN2PTPN1MCL1KMT2AALDH1A1
SCHEMBL24506357 0.67 HSD11B1 (0.47) HSD11B1
SCHEMBL15697532 0.67 PTPN2 (0.56) PTPN2PTPN1MCL1EDNRAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1685121-B1 ANTIDIABETIC COMPOUNDS COMPRISING BENZOTHIOPHENE DERIVATIVES MERCK PATENT GMBH (DE) 2008-06-11 EP claimed