SCHEMBL6174358

SCHEMBL6174358

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

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 2/20 0.38
TSHR P16473 1/20 0.38
HTR1F P30939 1/20 0.37
TP53 P04637 1/20 0.37
LMNA P02545 3/20 0.37
GAA P10253 2/20 0.37
HTT P42858 1/20 0.36
ALDH1A1 P00352 1/20 0.36
NR3C2 P08235 1/20 0.36
AR P10275 1/20 0.36
CYP2C9 P11712 2/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
MAPK14 Q16539 2/20 0.35
MEN1 O00255 1/20 0.34
CBLB Q13191 1/20 0.34
KDM4E B2RXH2 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
SCHEMBL6173783 0.94 LMNA (0.44) NPC1RAB9AKMT2ALMNAGAA
SCHEMBL6175145 0.93 ALDH1A1 (0.40) NPC1RAB9AKMT2ATSHRLMNA
SCHEMBL6753615 0.92 GAA (0.46) NPC1RAB9AKMT2ATP53LMNA
SCHEMBL6175398 0.88 GRM5 (0.43) NPC1RAB9AKMT2ATSHRTP53
SCHEMBL6173230 0.86 IGF1R (0.44) NPC1RAB9AKMT2ATSHRHTR1F
SCHEMBL6175553 0.86 NPC1 (0.40) NPC1RAB9AKMT2ATSHRHTR1F
SCHEMBL6175127 0.85 CYP2C9 (0.38) NPC1RAB9ATP53LMNAGAA
SCHEMBL6173058 0.85 IGF1R (0.36) KMT2ATSHRLMNAGAAALDH1A1
SCHEMBL6175073 0.85 IGF1R (0.38) RAB9AKMT2ATSHRTP53LMNA
SCHEMBL6175269 0.84 MAPT (0.40) KMT2AGAAALDH1A1ARCYP2C9

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