SCHEMBL6173695

SCHEMBL6173695

CC1(Cc2ccncc2Cl)NC(=O)N(c2ccc(OC(F)(F)F)cc2)C1=O

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ITGAL P20701 1/20 0.40
POLB P06746 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP3A4 P08684 1/20 0.38
GAA P10253 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
ALDH1A1 P00352 1/20 0.38
AR P10275 4/20 0.38
NPBWR1 P48145 2/20 0.37
MCHR1 Q99705 2/20 0.37
CCR9 P51686 1/20 0.35
MAPT P10636 1/20 0.34
P2RY1 P47900 1/20 0.34
PPARD Q03181 2/20 0.33
PPARA Q07869 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
LIPE Q05469 1/20 0.33

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
SCHEMBL6172435 0.87 POLB (0.38) ITGALPOLBL3MBTL1CYP3A4GAA
SCHEMBL6172098 0.87 AR (0.37) ITGALPOLBL3MBTL1CYP3A4GAA
SCHEMBL6173183 0.86 CYP3A4 (0.39) ITGALPOLBL3MBTL1CYP3A4GAA
SCHEMBL6170496 0.85 CYP3A4 (0.40) POLBL3MBTL1CYP3A4GAACYP2C9
SCHEMBL6176402 0.85 SLC6A4 (0.36) ITGALPOLBL3MBTL1CYP3A4GAA
SCHEMBL6173294 0.85 CYP3A4 (0.38) POLBL3MBTL1CYP3A4GAACYP2C9
SCHEMBL6176355 0.85 CYP3A4 (0.40) POLBL3MBTL1CYP3A4GAACYP2C9
SCHEMBL6170776 0.84 DGAT2 (0.38) ITGALALDH1A1AR
SCHEMBL6172191 0.84 AOC1 (0.38) POLBL3MBTL1CYP3A4GAACYP2C9
SCHEMBL6174749 0.84 AR (0.38) POLBL3MBTL1CYP3A4GAACYP2C9

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
EP-1599464-A2 NOVEL CYCLIC UREA DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL USE OF SAME AS KINASE INHIBITORS Aventis Pharma S.A. (FR) 2005-11-30 EP disclosed
WO-2004070050-A2 CYCLIC UREA DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL USE OF SAME AS KINASE INHIBITORS AVENTIS PHARMA S.A. (FR) 2004-08-19 WO disclosed