SCHEMBL3829340

SCHEMBL3829340

CC(C)(C)OC(=O)Nc1ccccc1NC(=O)c1ccc(C(C)(N)c2ccncc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.50
KMT2A Q03164 3/20 0.46
TP53 P04637 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HSD17B10 Q99714 1/20 0.46
RAB9A P51151 3/20 0.45
CYP17A1 P05093 3/20 0.45
HDAC1 Q13547 2/20 0.44
METAP1 P53582 1/20 0.44
NPC1 O15118 2/20 0.44
MEN1 O00255 2/20 0.44
POLB P06746 1/20 0.44
F10 P00742 1/20 0.44
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
PTGS1 P23219 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GLA P06280 1/20 0.43
ATM Q13315 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL2829960 0.86 CYP17A1 (0.56) NAMPTKMT2ATP53NPSR1HSD17B10
SCHEMBL2477474 0.81 NAMPT (0.54) NAMPTCYP17A1HDAC1
SCHEMBL30091856 0.81 GAA (0.53) NAMPTKMT2ARAB9AHDAC1NPC1
SCHEMBL1705479 0.81 GAA (0.53) NAMPTKMT2ARAB9AHDAC1NPC1
SCHEMBL2829176 0.80 POLB (0.56) NAMPTKMT2ATP53RAB9AHDAC1
SCHEMBL13949629 0.79 MEN1 (0.54) NAMPTKMT2ARAB9AHDAC1NPC1
SCHEMBL1066788 0.79 F10 (0.53) NAMPTKMT2ARAB9AHDAC1NPC1
SCHEMBL3662421 0.79 F10 (0.53) NAMPTKMT2ARAB9AHDAC1NPC1
SCHEMBL12772560 0.79 NPC1 (0.57) NAMPTKMT2ANPSR1RAB9AHDAC1
SCHEMBL1753893 0.79 MEN1 (0.50) NAMPTKMT2ARAB9AHDAC1NPC1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2107052-A1 NOVEL N-(2-AMINOPHENYL)BENZAMIDE DERIVATIVE HAVING AN UREA STRUCTURE Santen Pharmaceutical Co., Ltd (JP) 2009-10-07 EP disclosed