SCHEMBL24567486

SCHEMBL24567486

CC(C)[C@@H](C)Nc1ccccn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.50
MEN1 O00255 1/20 0.47
MAPK10 P53779 1/20 0.47
GFER P55789 1/20 0.47
KMT2A Q03164 1/20 0.47
KDM4E B2RXH2 1/20 0.46
HTT P42858 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HCAR3 P49019 1/20 0.46
MAPK14 Q16539 3/20 0.46
ALDH1A1 P00352 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
POLB P06746 1/20 0.45
NPC1 O15118 1/20 0.44
PKM P14618 1/20 0.44
RAB9A P51151 1/20 0.44
TRPM8 Q7Z2W7 1/20 0.43
SLC10A1 Q14973 1/20 0.43
LMNA P02545 1/20 0.42

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
SCHEMBL17700093 1.00 FDPS (0.50) FDPSMEN1MAPK10GFERKMT2A
SCHEMBL85479 0.83 FDPS (0.53) FDPSMEN1MAPK10GFERKMT2A
Ammonia Solution, Strong SCHEMBL4034014 0.81 FDPS (0.52) FDPSMEN1MAPK10GFERKMT2A
SCHEMBL27442083 0.79 FDPS (0.50) FDPSMEN1MAPK10GFERKMT2A
SCHEMBL3644137 0.79 FDPS (0.55) FDPSMEN1MAPK10GFERKMT2A
SCHEMBL27542187 0.79 FDPS (0.50) FDPSMEN1MAPK10GFERKMT2A
SCHEMBL16126083 0.79 FDPS (0.50) FDPSMEN1MAPK10GFERKMT2A
SCHEMBL25083172 0.79 FDPS (0.50) FDPSMEN1MAPK10GFERKMT2A
SCHEMBL9641327 0.79 FDPS (0.50) FDPSMEN1MAPK10GFERKMT2A
SCHEMBL20025127 0.79 FDPS (0.50) FDPSMEN1MAPK10GFERKMT2A

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-2022140428-A2 INHIBITORS OF PEPTIDYLARGININE DEIMINASES GILEAD SCIENCES, INC. (US) 2022-06-30 WO disclosed