SCHEMBL6172398

SCHEMBL6172398

COc1ccc(-c2cc(C(C)C3(C(C)c4ccnc(-c5ccc(OC)cc5)c4)NC(=O)N(c4ccc(OC(F)(F)F)cc4)C3=O)ccn2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAT2A P31153 1/20 0.43
GAA P10253 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
ALDH1A1 P00352 1/20 0.39
SCN10A Q9Y5Y9 1/20 0.37
MAPT P10636 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
POLB P06746 1/20 0.35
SCN9A Q15858 1/20 0.35
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
KDM5A P29375 1/20 0.35
KDM2B Q8NHM5 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
KDM5B Q9UGL1 1/20 0.35
AR P10275 1/20 0.34
PDE2A O00408 3/20 0.34
MAPKAPK2 P49137 2/20 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
SCHEMBL6176736 0.93 MAT2A (0.38) MAT2AGAASCN10AMAPTL3MBTL1
SCHEMBL6175039 0.92 MAT2A (0.37) MAT2ACYP3A4CYP2C9CYP2C19SCN10A
SCHEMBL17558396 0.85 POLB (0.39) GAACYP3A4CYP2C9CYP2C19ALDH1A1
SCHEMBL6174008 0.85 POLB (0.41) GAACYP3A4CYP2C9CYP2C19MAPT
SCHEMBL6173212 0.84 ADRB3 (0.40) GAACYP3A4CYP2C9CYP2C19ALDH1A1
SCHEMBL6175359 0.84 POLB (0.38) GAACYP3A4CYP2C9CYP2C19ALDH1A1
SCHEMBL6173751 0.83 NPBWR1 (0.35) ALDH1A1MAPTL3MBTL1POLBAR
SCHEMBL6171179 0.82 POLB (0.37) GAACYP3A4CYP2C9CYP2C19ALDH1A1
SCHEMBL6171486 0.82 POLB (0.39) GAACYP3A4CYP2C9CYP2C19L3MBTL1
SCHEMBL6171136 0.82 CYP3A4 (0.47) GAACYP3A4CYP2C9CYP2C19ALDH1A1

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