SCHEMBL6174774

SCHEMBL6174774

CCOC(=O)c1cnccc1C(C)C1(C(C)c2ccncc2C(=O)OCC)NC(=O)N(c2ccc(OC(F)(F)F)cc2)C1=O

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC5A1 P13866 1/20 0.40
SLC5A2 P31639 1/20 0.40
MAPT P10636 2/20 0.39
CYP3A4 P08684 2/20 0.38
GAA P10253 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
ALDH1A1 P00352 2/20 0.38
CXCR3 P49682 7/20 0.37
POLB P06746 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GPR139 Q6DWJ6 1/20 0.34
ABL1 P00519 1/20 0.33
PKM P14618 1/20 0.33
LMNA P02545 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
SCHEMBL6172522 0.89 CYP3A4 (0.40) CYP3A4GAACYP2C9CYP2C19ALDH1A1
SCHEMBL6175486 0.88 CYP3A4 (0.40) CYP3A4GAACYP2C9CYP2C19ALDH1A1
SCHEMBL6172647 0.87 CYP3A4 (0.35) MAPTCYP3A4GAACYP2C9CYP2C19
SCHEMBL6173899 0.87 ALDH1A1 (0.39) CYP3A4GAACYP2C9CYP2C19ALDH1A1
SCHEMBL6174412 0.86 MAPT (0.39) SLC5A1SLC5A2MAPTCYP3A4GAA
SCHEMBL2941010 0.85 CYP3A4 (0.36) CYP3A4GAACYP2C9CYP2C19ALDH1A1
SCHEMBL6173429 0.85 POLB (0.41) MAPTCYP3A4GAACYP2C9CYP2C19
SCHEMBL6173440 0.84 CYP3A4 (0.38) CYP3A4GAACYP2C9CYP2C19ALDH1A1
SCHEMBL6174636 0.83 ALDH1A1 (0.41) MAPTCYP3A4GAACYP2C9CYP2C19
SCHEMBL6175872 0.83 EPHX2 (0.40) CYP3A4GAACYP2C9CYP2C19ALDH1A1

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