SCHEMBL27740985

SCHEMBL27740985

CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(OCCCN4CCOCC4)c(Cl)c3)cc2)ccc1F

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 13/20 0.62
HTR2A P28223 1/20 0.53
HTR2C P28335 1/20 0.53
BRAF P15056 3/20 0.52
KDR P35968 2/20 0.52
EGFR P00533 2/20 0.52
RET P07949 1/20 0.49
MAPK14 Q16539 1/20 0.49

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
SCHEMBL27741147 0.96 EPHX2 (0.56) EPHX2HTR2AHTR2CBRAFKDR
SCHEMBL27720161 0.92 HTR2A (0.51) EPHX2HTR2AHTR2CKDREGFR
SCHEMBL27720109 0.88 MAPK14 (0.52) EPHX2HTR2AHTR2CKDREGFR
SCHEMBL27740982 0.83 KDR (0.53) EPHX2BRAFKDRMAPK14
SCHEMBL27720255 0.83 RAB9A (0.58) EPHX2
SCHEMBL27740978 0.79 PNLIP (0.51) EPHX2HTR2AHTR2CBRAFKDR
SCHEMBL27720113 0.79 BRAF (0.48) EPHX2HTR2AHTR2CBRAFKDR
SCHEMBL27720157 0.78 MAPT (0.64) EPHX2HTR2AHTR2CBRAFKDR
SCHEMBL4259984 0.78 EPHX2 (1.00) EPHX2HTR2AHTR2C
SCHEMBL27720139 0.77 ALDH1A1 (0.52) EPHX2HTR2AHTR2CBRAFKDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101298427-B Diaryl urea compound and use thereof GUANGZHOU INST BIOMED & HEALTH 2012-03-21 CN disclosed
CN-101298427-A Diaryl urea compound and use thereof GUANGZHOU INST BIOMED & HEALTH (CN) 2008-11-05 CN disclosed