SCHEMBL6174753

SCHEMBL6174753

COc1ccc(-c2cc(CC3(C)NC(=O)N(c4ccc(OC(F)(F)F)cc4)C3=O)ccn2)cc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAT2A P31153 1/20 0.43
CYP3A4 P08684 1/20 0.39
GAA P10253 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
ALDH1A1 P00352 1/20 0.39
IGF1R P08069 1/20 0.38
SCN10A Q9Y5Y9 1/20 0.37
ITGAL P20701 1/20 0.37
MMP2 P08253 3/20 0.37
MMP1 P03956 2/20 0.37
MMP3 P08254 2/20 0.37
MMP9 P14780 2/20 0.37
AR P10275 2/20 0.36
TRPA1 O75762 1/20 0.36
MAPT P10636 1/20 0.35
MCHR1 Q99705 2/20 0.35
POLB P06746 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL6171101 0.93 TRPA1 (0.43) MAT2AALDH1A1SCN10AITGALMMP2
SCHEMBL6174845 0.92 NTRK1 (0.38) MAT2ASCN10AITGALMMP2MMP1
SCHEMBL6174199 0.89 IGF1R (0.51) CYP3A4GAACYP2C9CYP2C19IGF1R
SCHEMBL6173222 0.88 MAPT (0.41) CYP3A4GAACYP2C9CYP2C19ALDH1A1
SCHEMBL6174785 0.86 ITGAL (0.41) ITGALARMAPT
SCHEMBL6173435 0.84 IGF1R (0.45) CYP3A4GAACYP2C9CYP2C19IGF1R
SCHEMBL6176754 0.84 ITGAL (0.44) CYP3A4GAACYP2C9CYP2C19IGF1R
SCHEMBL6175657 0.84 IGF1R (0.45) CYP3A4GAACYP2C9CYP2C19IGF1R
SCHEMBL6174653 0.83 ITGAL (0.39) IGF1RITGALARPOLBL3MBTL1
SCHEMBL6172079 0.82 IGF1R (0.47) CYP3A4GAACYP2C9CYP2C19IGF1R

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