SCHEMBL7004430

SCHEMBL7004430

COc1ccc(C=CC(=O)Nc2sc(C(C)c3ccccc3)cc2C(N)=O)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.54
NPC1 O15118 6/20 0.54
RAB9A P51151 6/20 0.54
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
KDM4E B2RXH2 3/20 0.53
ALDH1A1 P00352 2/20 0.53
HPGD P15428 2/20 0.53
SMN1; SMN2 Q16637 6/20 0.53
TRPA1 O75762 1/20 0.53
FLT3 P36888 1/20 0.49
TP53 P04637 3/20 0.49
EGFR P00533 1/20 0.49
MMP1 P03956 1/20 0.49
MMP2 P08253 1/20 0.49
MMP9 P14780 1/20 0.49
HDAC1 Q13547 1/20 0.46
GAA P10253 2/20 0.45
POLB P06746 2/20 0.45
CYP1A2 P05177 1/20 0.45

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
SCHEMBL7674637 1.00 MAPT (0.54) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL7004412 0.85 TRPA1 (0.53) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL7673358 0.85 TRPA1 (0.53) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL7673871 0.81 KDM4E (0.51) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL7673876 0.81 KDM4E (0.51) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL5093025 0.78 IKBKB (0.57) MAPTMEN1KMT2AKDM4E
SCHEMBL8640672 0.76 NPC1 (0.79) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL8640680 0.76 NPC1 (0.79) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL6999315 0.73 MAPK1 (0.49) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL7669658 0.73 MAPK1 (0.49) MAPTNPC1RAB9AMEN1KMT2A

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