SCHEMBL6995919

SCHEMBL6995919

Cc1cc(C)cc(CC(=O)Nc2sc(Cc3ccccc3)cc2C(N)=O)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.67
MAPT P10636 5/20 0.67
KDM4E B2RXH2 5/20 0.67
HPGD P15428 4/20 0.67
NPSR1 Q6W5P4 3/20 0.67
MEN1 O00255 4/20 0.60
KMT2A Q03164 4/20 0.60
LMNA P02545 2/20 0.60
ALOX15 P16050 2/20 0.60
HSD17B10 Q99714 2/20 0.60
NPC1 O15118 1/20 0.60
RAB9A P51151 1/20 0.60
MAPK10 P53779 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
MAPK8 P45983 8/20 0.60
CYP3A4 P08684 1/20 0.45
CYP2C19 P33261 1/20 0.45
USP2 O75604 1/20 0.43
MAPK1 P28482 1/20 0.43
GFER P55789 1/20 0.43

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
SCHEMBL24489005 0.83 ALDH1A1 (0.62) ALDH1A1MAPTKDM4EHPGDNPSR1
SCHEMBL24489088 0.82 ALDH1A1 (0.67) ALDH1A1MAPTKDM4EHPGDNPSR1
SCHEMBL7057301 0.82 MAPT (0.72) ALDH1A1MAPTKDM4EHPGDNPSR1
SCHEMBL5096639 0.81 ALDH1A1 (0.73) ALDH1A1MAPTKDM4EHPGDNPSR1
SCHEMBL24489002 0.81 ALDH1A1 (0.65) ALDH1A1MAPTKDM4EHPGDNPSR1
SCHEMBL24489102 0.80 ALDH1A1 (0.59) ALDH1A1MAPTKDM4EHPGDNPSR1
SCHEMBL7142901 0.79 ALDH1A1 (0.63) ALDH1A1MAPTKDM4EHPGDNPSR1
SCHEMBL24489106 0.78 ALDH1A1 (0.76) ALDH1A1MAPTKDM4EHPGDNPSR1
SCHEMBL7003377 0.78 ALDH1A1 (0.80) ALDH1A1MAPTKDM4EHPGDNPSR1
SCHEMBL24489136 0.78 MAPT (0.62) ALDH1A1MAPTKDM4EHPGDNPSR1

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