SCHEMBL6999036

SCHEMBL6999036

Cc1sc(-n2cc(CC(N)=O)c3ccccc32)c(C(N)=O)c1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ICMT O60725 2/20 0.45
MAPK8 P45983 1/20 0.43
FABP4 P15090 1/20 0.40
EGFR P00533 1/20 0.38
SRC P12931 1/20 0.38
RORC P51449 3/20 0.37
MEN1 O00255 2/20 0.37
ALDH1A1 P00352 2/20 0.37
GAA P10253 2/20 0.37
MAPT P10636 2/20 0.37
KMT2A Q03164 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
HTT P42858 1/20 0.36
POLB P06746 2/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
MAPK1 P28482 1/20 0.34
PLA2G2A P14555 2/20 0.34
SCN9A Q15858 1/20 0.34

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
SCHEMBL7672557 0.73 RECQL (0.41) MAPK8EGFRSRCMEN1ALDH1A1
SCHEMBL7670751 0.71 MAPK8 (0.67) MAPK8MEN1ALDH1A1GAAMAPT
SCHEMBL30958421 0.70 ICMT (0.62) ICMTMEN1ALDH1A1GAAMAPT
SCHEMBL588980 0.70 ICMT (0.62) ICMTMEN1ALDH1A1GAAMAPT
SCHEMBL11189269 0.69 SCN9A (0.49) ICMTFABP4RORCMAPTHTT
Hydrochloric Acid SCHEMBL3155846 0.69 ICMT (0.60) ICMTMEN1ALDH1A1GAAMAPT
SCHEMBL7672705 0.68 PLA2G2A (0.47) ICMTPLA2G2A
SCHEMBL2595601 0.67 ICMT (0.71) ICMTMEN1ALDH1A1KMT2APOLB
SCHEMBL30071354 0.66 ICMT (0.54) ICMTFABP4ALDH1A1MAPTPOLB
SCHEMBL4987596 0.66 ICMT (0.54) ICMTFABP4ALDH1A1MAPTPOLB

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