SCHEMBL6994846

SCHEMBL6994846

COc1cccc(O)c1C(=O)Nc1sc(Cc2ccccc2)cc1C(N)=O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.60
ALDH1A1 P00352 7/20 0.60
MAPT P10636 6/20 0.60
HPGD P15428 4/20 0.60
KMT2A Q03164 4/20 0.60
MEN1 O00255 3/20 0.60
SMN1; SMN2 Q16637 3/20 0.60
LMNA P02545 3/20 0.60
NPSR1 Q6W5P4 2/20 0.60
RAB9A P51151 2/20 0.60
NPC1 O15118 1/20 0.60
ALOX15 P16050 1/20 0.60
MAPK10 P53779 1/20 0.60
HSD17B10 Q99714 1/20 0.60
POLB P06746 1/20 0.47
TAAR1 Q96RJ0 1/20 0.41
CACNA1B Q00975 1/20 0.40
APBA1 Q02410 1/20 0.40
GAA P10253 1/20 0.40
TP53 P04637 1/20 0.40

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
SCHEMBL7670139 0.88 MAPT (0.62) KDM4EALDH1A1MAPTHPGDKMT2A
SCHEMBL7147094 0.84 ALDH1A1 (0.60) KDM4EALDH1A1MAPTHPGDKMT2A
SCHEMBL7673387 0.84 ALDH1A1 (0.60) KDM4EALDH1A1MAPTHPGDKMT2A
SCHEMBL7145607 0.81 MAPT (0.61) KDM4EALDH1A1MAPTHPGDKMT2A
SCHEMBL7138882 0.81 ALDH1A1 (0.61) KDM4EALDH1A1MAPTHPGDKMT2A
SCHEMBL7666325 0.81 MEN1 (0.61) KDM4EALDH1A1MAPTHPGDKMT2A
SCHEMBL7673354 0.80 ALDH1A1 (0.60) KDM4EALDH1A1MAPTHPGDKMT2A
SCHEMBL24488930 0.79 ALDH1A1 (0.74) KDM4EALDH1A1MAPTHPGDKMT2A
SCHEMBL7144732 0.78 MAPT (0.61) KDM4EALDH1A1MAPTHPGDKMT2A
SCHEMBL24489106 0.78 ALDH1A1 (0.76) KDM4EALDH1A1MAPTHPGDKMT2A

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