SCHEMBL7002936

SCHEMBL7002936

CN(C)c1cccc(C(=O)Nc2sc(Cc3ccccc3)cc2C(N)=O)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.62
ALDH1A1 P00352 7/20 0.62
MAPT P10636 7/20 0.62
KMT2A Q03164 6/20 0.62
HPGD P15428 6/20 0.62
MEN1 O00255 5/20 0.62
NPSR1 Q6W5P4 4/20 0.62
RAB9A P51151 4/20 0.62
SMN1; SMN2 Q16637 3/20 0.62
NPC1 O15118 3/20 0.62
LMNA P02545 2/20 0.62
ALOX15 P16050 2/20 0.62
HSD17B10 Q99714 2/20 0.62
MAPK10 P53779 1/20 0.62
POLB P06746 1/20 0.46
TMEM97 Q5BJF2 1/20 0.45
SIGMAR1 Q99720 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
HTT P42858 1/20 0.44
TP53 P04637 1/20 0.44

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
SCHEMBL7003325 0.89 MAPT (0.64) KDM4EALDH1A1MAPTKMT2AHPGD
SCHEMBL24489106 0.87 ALDH1A1 (0.76) KDM4EALDH1A1MAPTKMT2AHPGD
SCHEMBL6999373 0.82 ALDH1A1 (0.65) KDM4EALDH1A1MAPTKMT2AHPGD
SCHEMBL7002312 0.81 ALDH1A1 (0.68) KDM4EALDH1A1MAPTKMT2AHPGD
SCHEMBL7675269 0.80 ALDH1A1 (0.65) KDM4EALDH1A1MAPTKMT2AHPGD
SCHEMBL7002981 0.80 MAPT (0.65) KDM4EALDH1A1MAPTKMT2AHPGD
SCHEMBL7003377 0.80 ALDH1A1 (0.80) KDM4EALDH1A1MAPTKMT2AHPGD
SCHEMBL24488930 0.79 ALDH1A1 (0.74) KDM4EALDH1A1MAPTKMT2AHPGD
SCHEMBL5096639 0.78 ALDH1A1 (0.73) KDM4EALDH1A1MAPTKMT2AHPGD
SCHEMBL24489125 0.78 ALDH1A1 (0.63) KDM4EALDH1A1MAPTKMT2AHPGD

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