SCHEMBL6173783

SCHEMBL6173783

CC(c1ccnc(NC(=O)c2ccc(Cl)cc2)c1)C1(C(C)c2ccnc(NC(=O)c3ccc(Cl)cc3)c2)NC(=O)N(c2ccc(S(=O)(=O)C(F)(F)F)cc2)C1=O

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.44
GAA P10253 2/20 0.44
CYP2C9 P11712 2/20 0.41
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
THRB P10828 1/20 0.37
MAPT P10636 1/20 0.37
ORAI1 Q96D31 2/20 0.37
STIM1 Q13586 1/20 0.37
CBLB Q13191 3/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
F10 P00742 1/20 0.35
IGF1R P08069 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
SCHEMBL6174358 0.94 NPC1 (0.39) LMNAGAACYP2C9NPC1RAB9A
SCHEMBL6175145 0.93 ALDH1A1 (0.40) LMNAGAACYP2C9NPC1RAB9A
SCHEMBL6175398 0.92 GRM5 (0.43) LMNAGAACYP2C9NPC1RAB9A
SCHEMBL6753615 0.92 GAA (0.46) LMNAGAACYP2C9NPC1RAB9A
SCHEMBL6175127 0.88 CYP2C9 (0.38) LMNAGAACYP2C9NPC1RAB9A
SCHEMBL6175972 0.86 IGF1R (0.44) LMNAGAANPC1RAB9AMEN1
SCHEMBL6173058 0.85 IGF1R (0.36) LMNAGAACYP2C9MEN1KMT2A
SCHEMBL6175073 0.85 IGF1R (0.38) LMNACYP2C9RAB9AMEN1KMT2A
SCHEMBL6175269 0.84 MAPT (0.40) GAACYP2C9KMT2ATHRBMAPT
SCHEMBL6174924 0.84 EPHX2 (0.39) LMNACYP2C9NPC1RAB9AKMT2A

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