SCHEMBL6175575

SCHEMBL6175575

CN1CCN(C(=O)c2cnccc2CC2(C)NC(=O)N(c3ccc(OC(F)(F)F)cc3)C2=O)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.40
TP53 P04637 1/20 0.38
MDM2 Q00987 1/20 0.38
ABL1 P00519 2/20 0.36
BCR P11274 1/20 0.36
CYP3A4 P08684 1/20 0.36
GAA P10253 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPK7 Q13164 2/20 0.36
KCNA5 P22460 2/20 0.36
SLC2A1 P11166 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
HRH3 Q9Y5N1 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ATM Q13315 1/20 0.35
NAMPT P43490 2/20 0.34
KDM1A O60341 1/20 0.34

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
SCHEMBL6173046 0.93 CYP3A4 (0.37) EPHX2TP53MDM2CYP3A4GAA
SCHEMBL6251393 0.91 EPHX2 (0.39) EPHX2ABL1BCRCYP3A4GAA
SCHEMBL6175318 0.91 KCNA5 (0.41) TP53MDM2CYP3A4GAACYP2C9
SCHEMBL6170496 0.86 CYP3A4 (0.40) CYP3A4GAACYP2C9CYP2C19ALDH1A1
SCHEMBL6176355 0.85 CYP3A4 (0.40) CYP3A4GAACYP2C9CYP2C19ALDH1A1
SCHEMBL6177653 0.85 TRPV4 (0.37) ABL1CYP3A4GAACYP2C9CYP2C19
SCHEMBL6174589 0.84 CYP3A4 (0.42) CYP3A4GAACYP2C9CYP2C19ALDH1A1
SCHEMBL6174456 0.84 MAPT (0.40) EPHX2CYP3A4GAACYP2C9CYP2C19
SCHEMBL6173349 0.82 ALDH1A1 (0.39) EPHX2CYP3A4GAACYP2C9CYP2C19
SCHEMBL2935578 0.82 IGF1R (0.44) EPHX2TP53MDM2MEN1KMT2A

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