SCHEMBL7001335

SCHEMBL7001335

Cc1csc(NC(=O)c2ccccc2S(C)(=O)=O)c1C(N)=O

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 1/20 0.52
MAPK1 P28482 1/20 0.44
FLT3 P36888 1/20 0.44
MAPT P10636 2/20 0.42
PABPC1 P11940 1/20 0.41
EIF4H Q15056 1/20 0.41
KMT2A Q03164 8/20 0.40
MEN1 O00255 6/20 0.40
NPC1 O15118 5/20 0.40
TP53 P04637 1/20 0.40
RAB9A P51151 4/20 0.39
CFTR P13569 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
GCK P35557 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
SCHEMBL4067013 0.79 KMT2A (0.60) MAPK1MAPTKMT2AMEN1NPC1
SCHEMBL7672845 0.78 ALDH1A1 (0.53) FLT3MAPTKMT2AMEN1NPC1
SCHEMBL7672533 0.76 ALDH1A1 (0.56) FLT3MAPTKMT2AMEN1NPC1
SCHEMBL7670272 0.72 RAB9A (0.61) MAPK1NPC1RAB9AHPGD
SCHEMBL1930005 0.72 EPHB4 (0.40) MAPK1FLT3MAPTKMT2AMEN1
SCHEMBL16246364 0.71 PTK2 (0.49) FLT3MAPTKMT2AMEN1TP53
SCHEMBL7002815 0.71 POLB (0.55) MAPK1MAPTKMT2AMEN1TP53
SCHEMBL7000771 0.71 KDM4A (0.45) FLT3MAPTKMT2AMEN1NPC1
SCHEMBL7006525 0.71 HSD17B10 (0.47) MAPK1KMT2AMEN1NPC1TP53
SCHEMBL364343 0.70 BCAT2 (0.56) BCAT2MAPTALDH1A1LMNAHPGD

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-1294707-A2 THIOPHENE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM Pharmacia Italia S.p.A. (IT) 2003-03-26 EP claimed
US-6414013-B1 KINASE INHIBITORS; ANTICANCER AGENTS PHARMACIA & UPJOHN S.P.A. (IT) 2002-07-02 US claimed
WO-2001098290-A2 THIOPHENE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM PHARMACIA ITALIA S.P.A. (IT) 2001-12-27 WO claimed