SCHEMBL10508154

SCHEMBL10508154

O=[N+]([O-])c1ccc(Oc2ncc(Cl)cn2)c(C(F)(F)F)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
ALDH1A1 P00352 4/20 0.42
EPAS1 Q99814 2/20 0.41
VEGFA P15692 1/20 0.40
MAPT P10636 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
PKM P14618 1/20 0.39
PDE7A Q13946 2/20 0.39
HSPB1 P04792 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
PTGES O14684 1/20 0.39
POLB P06746 1/20 0.38
RORC P51449 1/20 0.37
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL10509673 0.87 CYP1A2 (0.48) CYP1A2CYP2C9CYP2C19ALDH1A1MAPT
SCHEMBL10495487 0.85 HSPB1 (0.51) CYP1A2CYP2C9CYP2C19ALDH1A1EPAS1
SCHEMBL9171793 0.82 CYP1A2 (0.64) CYP1A2CYP2C9CYP2C19ALDH1A1EPAS1
SCHEMBL11092359 0.80 PDE7A (0.53) CYP1A2CYP2C9CYP2C19ALDH1A1EPAS1
SCHEMBL4697642 0.80 PPARG (0.52) CYP1A2CYP2C9CYP2C19ALDH1A1EPAS1
SCHEMBL10495582 0.80 MAPT (0.39) CYP1A2CYP2C9CYP2C19ALDH1A1EPAS1
SCHEMBL8141281 0.78 HSPB1 (0.57) CYP1A2CYP2C9CYP2C19ALDH1A1EPAS1
SCHEMBL29519502 0.78 CYP1A2 (0.56) CYP1A2CYP2C9CYP2C19ALDH1A1EPAS1
SCHEMBL28508933 0.77 CYP1A2 (0.51) CYP1A2CYP2C9CYP2C19ALDH1A1MAPT
SCHEMBL2395683 0.77 CYP1A2 (0.54) CYP1A2CYP2C9CYP2C19ALDH1A1EPAS1

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-0164694-B1 N-BENZOYL-N'-PYRIMIDINYLOXYPHENYL UREA COMPOUNDS, AND ANTITUMOROUS COMPOSITIONS CONTAINING THEM, AND PROCESS FOR THEIR PREPARATION ISHIHARA SANGYO KAISHA, LTD. (JP) 1989-12-06 EP disclosed
US-4677110-A N-benzoyl-N'-pyrimidinyloxyphenyl urea compounds, and antitumorous compositions containing them ISHIHARA SANGYO KAISHA LTD. (JP) 1987-06-30 US disclosed
EP-0164694-A2 N-Benzoyl-N'-pyrimidinyloxyphenyl urea compounds, and antitumorous compositions containing them, and process for their preparation ISHIHARA SANGYO KAISHA, LTD. (JP) 1985-12-18 EP disclosed