SCHEMBL4575965

SCHEMBL4575965

NC(=O)C(=O)NCc1cccc(OC(F)(F)F)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 1/20 0.60
▸ ROCK1 Q13464 2/20 0.57
▸ ROCK2 O75116 1/20 0.57
▸ HTR2C P28335 1/20 0.51
▸ KDM5A P29375 1/20 0.50
▸ KDM4C Q9H3R0 1/20 0.50
▸ KDM5B Q9UGL1 1/20 0.50
▸ NAMPT P43490 2/20 0.49
▸ GLS O94925 1/20 0.48
▸ CNR1 P21554 1/20 0.48
▸ CTSD P07339 1/20 0.48
▸ EPHX1 P07099 1/20 0.47
▸ CETP P11597 1/20 0.47
▸ EPHX2 P34913 1/20 0.47
▸ SCN9A Q15858 1/20 0.47
▸ PPARG P37231 1/20 0.47
▸ PPARD Q03181 1/20 0.47
▸ PPARA Q07869 1/20 0.47
▸ ABCB1 P08183 1/20 0.47
▸ KCNB1 Q14721 1/20 0.47

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
SCHEMBL13647056 0.89 MAPK14 (0.63) MAPK14ROCK1ROCK2HTR2CKDM5A
SCHEMBL29399981 0.88 MAPK14 (0.59) MAPK14ROCK1ROCK2HTR2CKDM5A
SCHEMBL15682809 0.88 MAPK14 (0.59) MAPK14ROCK1ROCK2HTR2CKDM5A
SCHEMBL30152446 0.87 MAPK14 (0.65) MAPK14ROCK1ROCK2HTR2CKDM5A
SCHEMBL23195276 0.87 MAPK14 (0.65) MAPK14ROCK1ROCK2HTR2CKDM5A
SCHEMBL5724446 0.83 MAPK14 (0.63) MAPK14ROCK1ROCK2HTR2CKDM5A
SCHEMBL4575470 0.82 EPHX2 (0.57) HTR2CNAMPTEPHX1EPHX2PPARG
SCHEMBL4461230 0.81 ALDH1A1 (0.65) EPHX2MMP13
SCHEMBL934551 0.81 GLS (0.61) MAPK14ROCK1ROCK2KDM5AKDM4C
SCHEMBL13853494 0.81 MAPK14 (0.60) MAPK14ROCK1ROCK2KDM5AKDM4C

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1673085-A4 C-MET MODULATORS AND METHODS OF USE EXELIXIS INC (US) 2008-12-10 — — EP claimed
EP-1673085-A2 C-MET MODULATORS AND METHODS OF USE Exelixis, Inc. (US) 2006-06-28 — — EP claimed
WO-2005030140-A2 C-MET MODULATORS AND METHODS OF USE EXELIXIS, INC. (US) 2005-04-07 — — WO claimed
EP-1673085-A4 C-MET MODULATORS AND METHODS OF USE EXELIXIS INC (US) 2008-12-10 — — EP disclosed
EP-1673085-A2 C-MET MODULATORS AND METHODS OF USE Exelixis, Inc. (US) 2006-06-28 — — EP disclosed
WO-2005030140-A2 C-MET MODULATORS AND METHODS OF USE EXELIXIS, INC. (US) 2005-04-07 — — WO disclosed
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