SCHEMBL6997417

SCHEMBL6997417

COc1cc(C=CC(=O)Nc2scc(C)c2C(N)=O)cc(OC)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.49
FLT3 P36888 2/20 0.49
PARP1 P09874 2/20 0.48
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
TP53 P04637 3/20 0.44
RXFP1 Q9HBX9 1/20 0.43
BACE1 P56817 1/20 0.41
MAPK8 P45983 1/20 0.41
MAPK9 P45984 1/20 0.41
MAPK10 P53779 1/20 0.41
HSD17B1 P14061 1/20 0.40
THRB P10828 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ABCG2 Q9UNQ0 1/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 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
SCHEMBL7676397 1.00 MAPT (0.49) MAPTFLT3PARP1MEN1KMT2A
SCHEMBL7676274 0.84 FLT3 (0.64) MAPTFLT3MEN1KMT2AKDM4E
SCHEMBL7005500 0.84 FLT3 (0.64) MAPTFLT3MEN1KMT2AKDM4E
SCHEMBL7674081 0.81 KMT2A (0.55) MAPTFLT3MEN1KMT2AKDM4E
SCHEMBL7003196 0.81 LY96 (0.54) MAPTFLT3MEN1KMT2AKDM4E
SCHEMBL7676325 0.81 LY96 (0.54) MAPTFLT3MEN1KMT2AKDM4E
SCHEMBL7674085 0.81 KMT2A (0.55) MAPTFLT3MEN1KMT2AKDM4E
SCHEMBL7666534 0.76 MAPK8 (0.63) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL7674468 0.75 RAB9A (0.53) MAPTMEN1KMT2ATP53SMN1; SMN2
SCHEMBL7002930 0.75 RAB9A (0.53) MAPTMEN1KMT2ATP53SMN1; SMN2

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