SCHEMBL4633967

SCHEMBL4633967

O=C(O)c1sc2ccccc2c1OCc1ccccc1CS(=O)(=O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.46
PTPN2 P17706 1/20 0.44
PTPN1 P18031 1/20 0.44
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
SENP5 Q96HI0 9/20 0.41
SENP2 Q9HC62 9/20 0.41
SENP1 Q9P0U3 9/20 0.41
USP2 O75604 1/20 0.41
MCL1 Q07820 4/20 0.41
CXCR2 P25025 1/20 0.39
EDNRA P25101 1/20 0.38
BCL2 P10415 1/20 0.38
BCL2L1 Q07817 1/20 0.38
BAD Q92934 1/20 0.38
LMNA P02545 1/20 0.37
KMT2A Q03164 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL4603283 0.90 HSD11B1 (0.44) HSD11B1ALDH1A1SENP5SENP2SENP1
SCHEMBL1382902 0.87 LMNA (0.55) HSD11B1ALDH1A1KDM4ELMNAKMT2A
SCHEMBL4633589 0.82 ALDH1A1 (0.44) HSD11B1ALDH1A1SENP5SENP2SENP1
SCHEMBL4603394 0.81 PTPN1 (0.37) HSD11B1PTPN1SENP5SENP2SENP1
SCHEMBL4633019 0.78 PTPN2 (0.48) PTPN2PTPN1ALDH1A1KDM4ESENP5
SCHEMBL4634951 0.77 KDM4E (0.67) PTPN2PTPN1ALDH1A1KDM4ESENP5
SCHEMBL4827473 0.76 NPC1 (0.33) HSD11B1ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL4632956 0.76 FFAR1 (0.46) PTPN2PTPN1ALDH1A1KDM4ESENP5
SCHEMBL4635097 0.76 PTPN2 (0.46) PTPN2PTPN1ALDH1A1KDM4ESENP5
SCHEMBL11844857 0.73 PTPN1 (0.76) PTPN2PTPN1ALDH1A1KDM4EMCL1

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