SCHEMBL6451632

SCHEMBL6451632

O=C(O)c1sc(Cl)c(-c2ccccc2)c1O

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 2/20 0.42
AKR1C2 P52895 1/20 0.41
AKR1C1 Q04828 1/20 0.41
HNF4A P41235 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
GRIA4 P48058 1/20 0.39
GPR35 Q9HC97 1/20 0.39
HTT P42858 1/20 0.38
ALDH1A1 P00352 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
MAPK1 P28482 1/20 0.37
PTPRF P10586 1/20 0.36
PTPN1 P18031 1/20 0.36

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
SCHEMBL6872798 0.82 TRPM8 (0.51) SMN1; SMN2HTTALDH1A1MAPK1
SCHEMBL10487805 0.75 FNTA (0.48) MCL1SMN1; SMN2GPR35PTPN1
SCHEMBL69825 0.74 GRIA4 (0.50) MCL1HNF4ASMN1; SMN2GRIA4HTT
SCHEMBL7970697 0.71 MCL1 (0.58) MCL1SMN1; SMN2HTTALDH1A1CYP2C19
SCHEMBL21259069 0.70 FABP4 (0.43) SMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL27544067 0.69 MCL1 (0.56) MCL1SMN1; SMN2HTTALDH1A1MAPK1
SCHEMBL4953378 0.68 GAA (0.40) SMN1; SMN2HTTALDH1A1MAPK1
SCHEMBL21247213 0.67 RAB9A (0.51) SMN1; SMN2ALDH1A1MAPK1
Thiophene SCHEMBL27729425 0.67 GRIA4 (0.44) MCL1SMN1; SMN2GRIA4HTTALDH1A1
SCHEMBL25202699 0.66 MCL1 (0.65) MCL1SMN1; SMN2ALDH1A1CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1534700-A1 NOVEL THIOPHENE DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME WARNER-LAMBERT COMPANY LLC (US) 2005-06-01 EP claimed
WO-2004018448-A1 NOVEL THIOPHENE DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME WARNER-LAMBERT COMPANY LLC (US) 2004-03-04 WO claimed
EP-1394159-A1 New thiophene derivatives, process for their preparation and pharmaceutical compositions containing them Warner-Lambert Company LLC (US) 2004-03-03 EP claimed
EP-1534700-A1 NOVEL THIOPHENE DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME WARNER-LAMBERT COMPANY LLC (US) 2005-06-01 EP disclosed
WO-2004018448-A1 NOVEL THIOPHENE DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME WARNER-LAMBERT COMPANY LLC (US) 2004-03-04 WO disclosed
EP-1394159-A1 New thiophene derivatives, process for their preparation and pharmaceutical compositions containing them Warner-Lambert Company LLC (US) 2004-03-03 EP disclosed