SCHEMBL6451706

SCHEMBL6451706

COc1ccc(-c2csc([C]=O)c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
TP53 P04637 1/20 0.42
MAPK1 P28482 1/20 0.42
CASP3 P42574 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
ESR2 Q92731 1/20 0.41
DYRK1A Q13627 2/20 0.41
MAPT P10636 2/20 0.40
APP P05067 1/20 0.40
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
ABL1 P00519 1/20 0.40
ABCB1 P08183 1/20 0.40
BCR P11274 1/20 0.40
EGFR P00533 1/20 0.39
HDAC4 P56524 1/20 0.38

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
SCHEMBL2321222 0.80 MMP12 (0.35) NPC1RAB9AMAPTALDH1A1POLB
SCHEMBL6456204 0.79 MMP12 (0.44) ABL1CA12CA9MMP12MMP13
SCHEMBL2320775 0.77 BCL2L1 (0.35) RAB9AMAPTALDH1A1CA12CA9
SCHEMBL2325532 0.76 HDAC6 (0.43) NPC1RAB9ASMN1; SMN2DYRK1AMAPT
SCHEMBL1181336 0.74 APP (0.55) NPC1RAB9ASMN1; SMN2TP53MAPK1
SCHEMBL6451713 0.74 MAPT (0.51) NPC1RAB9ASMN1; SMN2TP53MAPK1
SCHEMBL17715302 0.73 RAB9A (0.46) NPC1RAB9ASMN1; SMN2TP53MAPK1
SCHEMBL1308594 0.71 ALAD (0.63) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL29353740 0.71 ESR2 (0.56) NPC1RAB9ASMN1; SMN2TP53MAPK1
SCHEMBL6882343 0.70 MMP2 (0.49) NPC1RAB9ASMN1; SMN2TP53MAPK1

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 3 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 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