SCHEMBL7005500

SCHEMBL7005500

COc1ccc(C=CC(=O)Nc2scc(C)c2C(N)=O)cc1OC

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 1/20 0.64
RXFP1 Q9HBX9 1/20 0.60
KDM4E B2RXH2 5/20 0.58
MAPT P10636 3/20 0.56
MEN1 O00255 6/20 0.56
KMT2A Q03164 6/20 0.56
SMN1; SMN2 Q16637 4/20 0.56
NPC1 O15118 3/20 0.56
RAB9A P51151 3/20 0.56
STAT1 P42224 1/20 0.56
HPGD P15428 6/20 0.56
CYP1A2 P05177 2/20 0.56
ALDH1A1 P00352 5/20 0.54
THRB P10828 1/20 0.54
GAA P10253 1/20 0.53
HTT P42858 1/20 0.53
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA9 Q16790 1/20 0.53

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
SCHEMBL7676274 1.00 FLT3 (0.64) FLT3RXFP1KDM4EMAPTMEN1
SCHEMBL7676397 0.84 MAPT (0.49) FLT3RXFP1KDM4EMAPTMEN1
SCHEMBL6997417 0.84 MAPT (0.49) FLT3RXFP1KDM4EMAPTMEN1
SCHEMBL7674081 0.84 KMT2A (0.55) FLT3RXFP1KDM4EMAPTMEN1
SCHEMBL7674085 0.84 KMT2A (0.55) FLT3RXFP1KDM4EMAPTMEN1
SCHEMBL7003196 0.82 LY96 (0.54) FLT3KDM4EMAPTMEN1KMT2A
SCHEMBL7676325 0.82 LY96 (0.54) FLT3KDM4EMAPTMEN1KMT2A
SCHEMBL7002930 0.80 RAB9A (0.53) MAPTMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL7674468 0.80 RAB9A (0.53) MAPTMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL10717581 0.78 ALOX5 (0.48) FLT3RXFP1KDM4EMAPTMEN1

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