SCHEMBL7004412

SCHEMBL7004412

COc1ccccc1C=CC(=O)Nc1sc(C(C)c2ccccc2)cc1C(N)=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.53
TRPM8 Q7Z2W7 1/20 0.53
MAPT P10636 7/20 0.50
KDM4E B2RXH2 3/20 0.50
LMNA P02545 5/20 0.46
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
NPC1 O15118 5/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ALDH1A1 P00352 3/20 0.44
HPGD P15428 2/20 0.44
ALOX12 P18054 1/20 0.44
RAB9A P51151 4/20 0.44
NFKB1 P19838 2/20 0.44
NFKB2 Q00653 2/20 0.44
RELA Q04206 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
RECQL P46063 1/20 0.44
NTRK1 P04629 1/20 0.43
NFE2L2 Q16236 2/20 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
SCHEMBL7673358 1.00 TRPA1 (0.53) TRPA1TRPM8MAPTKDM4ELMNA
SCHEMBL7674637 0.85 MAPT (0.54) TRPA1MAPTKDM4ELMNAMEN1
SCHEMBL7004430 0.85 MAPT (0.54) TRPA1MAPTKDM4ELMNAMEN1
SCHEMBL5093025 0.78 IKBKB (0.57) MAPTKDM4EMEN1KMT2A
SCHEMBL8641477 0.76 TRPA1 (0.79) TRPA1TRPM8MAPTKDM4ELMNA
SCHEMBL8641484 0.76 TRPA1 (0.79) TRPA1TRPM8MAPTKDM4ELMNA
SCHEMBL7673876 0.75 KDM4E (0.51) MAPTKDM4ELMNAMEN1KMT2A
SCHEMBL7673871 0.75 KDM4E (0.51) MAPTKDM4ELMNAMEN1KMT2A
SCHEMBL7005038 0.73 HDAC1 (0.46) MAPTKDM4ELMNAALDH1A1
SCHEMBL7675378 0.71 KDM4E (0.49) MAPTKDM4ELMNAMEN1KMT2A

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