SCHEMBL6174077

SCHEMBL6174077

COc1ccc(C(=O)Nc2cnccc2CC2(C)NC(=O)N(c3ccc(SC(F)(F)F)cc3)C2=O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.49
GAA P10253 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
ALDH1A1 P00352 1/20 0.46
KCNK2 O95069 3/20 0.45
KCNK10 P57789 2/20 0.45
IGF1R P08069 5/20 0.40
HDAC1 Q13547 1/20 0.37
PKM P14618 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
RAB9A P51151 3/20 0.36
NPC1 O15118 2/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
KMT2A Q03164 1/20 0.36
NAMPT P43490 1/20 0.36
ABCB1 P08183 1/20 0.36

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
SCHEMBL6173746 0.91 LMNA (0.42) CYP3A4GAACYP2C9CYP2C19ALDH1A1
SCHEMBL6173492 0.91 KCNK2 (0.41) CYP3A4GAACYP2C9CYP2C19ALDH1A1
SCHEMBL6174981 0.90 CYP3A4 (0.51) CYP3A4GAACYP2C9CYP2C19ALDH1A1
SCHEMBL6173115 0.85 IGF1R (0.39) ALDH1A1KCNK2KCNK10IGF1RMEN1
SCHEMBL6175144 0.84 IGF1R (0.39) CYP3A4GAACYP2C9CYP2C19ALDH1A1
SCHEMBL6171502 0.84 IGF1R (0.39) CYP3A4GAACYP2C9CYP2C19ALDH1A1
SCHEMBL6174742 0.83 IGF1R (0.40) CYP3A4GAACYP2C9CYP2C19ALDH1A1
SCHEMBL6277096 0.83 CYP3A4 (0.43) CYP3A4GAACYP2C9CYP2C19ALDH1A1
SCHEMBL2941443 0.83 IGF1R (0.56) KCNK2KCNK10IGF1R
SCHEMBL6173999 0.83 IGF1R (0.40) GAAALDH1A1KCNK2KCNK10IGF1R

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