SCHEMBL6172647

SCHEMBL6172647

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.35
GAA P10253 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
ALDH1A1 P00352 1/20 0.35
RXFP1 Q9HBX9 2/20 0.34
MAPT P10636 2/20 0.34
NAMPT P43490 1/20 0.34
IGF1R P08069 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
LMNA P02545 1/20 0.32
GABRA1 P14867 2/20 0.32
GABRB2 P47870 2/20 0.32
TRPV3 Q8NET8 1/20 0.32
TP53 P04637 1/20 0.32
NR1H2 P55055 1/20 0.32
NR1H3 Q13133 1/20 0.32
THRB P10828 1/20 0.31

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
SCHEMBL6174774 0.87 SLC5A1 (0.40) CYP3A4GAACYP2C9CYP2C19ALDH1A1
SCHEMBL6177902 0.87 CYP2C9 (0.35) CYP3A4GAACYP2C9CYP2C19ALDH1A1
SCHEMBL6171994 0.87 ALDH1A1 (0.37) CYP3A4GAACYP2C9CYP2C19ALDH1A1
SCHEMBL6170701 0.85 IGF1R (0.37) CYP3A4GAACYP2C9CYP2C19ALDH1A1
SCHEMBL6171082 0.84 ALDH1A1 (0.35) CYP3A4GAACYP2C9CYP2C19ALDH1A1
SCHEMBL6173750 0.84 KMT2A (0.39) CYP3A4GAACYP2C9CYP2C19ALDH1A1
SCHEMBL6173489 0.83 DPP4 (0.36) CYP3A4GAACYP2C9CYP2C19ALDH1A1
SCHEMBL6177145 0.83 IGF1R (0.40) CYP3A4GAACYP2C9CYP2C19ALDH1A1
SCHEMBL6176692 0.82 KMT2A (0.36) CYP3A4GAACYP2C9CYP2C19ALDH1A1
SCHEMBL6172103 0.82 RXFP1 (0.42) 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