SCHEMBL19697822

SCHEMBL19697822

CNC(=O)c1cc(C)cc(N)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 7/20 0.45
NOS3 P29474 5/20 0.45
NOS1 P29475 4/20 0.45
BAZ2B Q9UIF8 1/20 0.43
CNR1 P21554 1/20 0.41
NPC1 O15118 1/20 0.41
POLB P06746 1/20 0.41
RAB9A P51151 1/20 0.41
MAPK8 P45983 1/20 0.40
MAPK9 P45984 1/20 0.40
BRD4 O60885 2/20 0.39
SCN10A Q9Y5Y9 2/20 0.39
SCN1A P35498 1/20 0.38
KCNH2 Q12809 1/20 0.38
SCN5A Q14524 1/20 0.38
SCN9A Q15858 1/20 0.38
SCN2A Q99250 1/20 0.38
SCN3A Q9NY46 1/20 0.38
DPP4 P27487 1/20 0.38
DPP8 Q6V1X1 1/20 0.38

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
SCHEMBL19448469 0.81 CTSA (0.46) NOS2NOS3NOS1BAZ2BCNR1
SCHEMBL25222774 0.79 NOS2 (0.50) NOS2NOS3NOS1
SCHEMBL6027026 0.79 NOS2 (0.50) NOS2NOS3NOS1
SCHEMBL19380938 0.78 NQO2 (0.47) NOS2NOS3NOS1
SCHEMBL2089670 0.77 PLK1 (0.43) BAZ2BNPC1RAB9AMAPK8MAPK9
SCHEMBL22593023 0.76 SMN1; SMN2 (0.45) BAZ2BCNR1NPC1POLBRAB9A
SCHEMBL19662208 0.75 BRD4 (0.47) BAZ2BCNR1NPC1POLBRAB9A
SCHEMBL17512543 0.74 BAZ2B (0.43) BAZ2BCNR1NPC1POLBRAB9A
SCHEMBL16572978 0.74 HSP90AB1 (0.50) BAZ2BCNR1NPC1POLBRAB9A
SCHEMBL22593139 0.74 BRD4 (0.46) BAZ2BCNR1NPC1POLBRAB9A

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
WO-2017214413-A1 IMIDAZO[1,2-A]PYRIDINE DERIVATIVES AS HISTONE DEMETHYLASE INHIBITORS Chrysalis, Inc. (US) 2017-12-14 WO disclosed