SCHEMBL25856272

SCHEMBL25856272

Nc1ccc(CCNCc2ccc(-c3cc(-c4ccc(Cl)cc4)[nH]n3)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.50
TP53 P04637 1/20 0.50
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
POLB P06746 1/20 0.45
PKM P14618 1/20 0.45
MCL1 Q07820 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
MKNK1 Q9BUB5 1/20 0.45
MKNK2 Q9HBH9 1/20 0.45
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA4 P22748 1/20 0.44
CA9 Q16790 1/20 0.44
PRKD1 Q15139 1/20 0.42
GFER P55789 1/20 0.40
LTA4H P09960 1/20 0.40

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
SCHEMBL15425110 0.82 MKNK1 (0.64) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL25305249 0.81 MAPT (0.65) MAPTTP53NPC1RAB9AMEN1
SCHEMBL27460988 0.76 RAB9A (0.57) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL12491621 0.75 RAB9A (0.64) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL10890200 0.73 MAPT (0.54) MAPTTP53MEN1KMT2APOLB
SCHEMBL10889952 0.73 MAPT (0.48) MAPTTP53NPC1RAB9AMEN1
SCHEMBL16682342 0.71 GAA (0.59) MAPTCA12CA1CA2CA4
SCHEMBL25308935 0.71 MAPT (0.67) MAPTTP53NPC1RAB9AMEN1
SCHEMBL25263437 0.71 MAPT (0.52) MAPTTP53NPC1RAB9AMEN1
SCHEMBL3842147 0.69 RAB9A (0.79) MAPTTP53NPC1RAB9AMEN1

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-2023130540-A1 PYRAZOL BENZAMIDE COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF 苏州大学 2023-07-13 WO disclosed