SCHEMBL437067

SCHEMBL437067

Nc1c(Br)cnc2cc(C(F)(F)F)ccc12

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.46
PARP1 P09874 1/20 0.45
NOS3 P29474 1/20 0.40
NOS2 P35228 1/20 0.40
BACE1 P56817 1/20 0.39
FEN1 P39748 4/20 0.39
ALOX5AP P20292 3/20 0.39
ADRB2 P07550 1/20 0.39
NCF1 P14598 1/20 0.39
KIF11 P52732 1/20 0.38
EGFR P00533 2/20 0.38
ILK Q13418 1/20 0.37
EPHX2 P34913 1/20 0.37
SCN4A P35499 1/20 0.37
GRM4 Q14833 1/20 0.37
MET P08581 1/20 0.37

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
SCHEMBL436530 0.87 BACE1 (0.42) MAOBNOS3NOS2BACE1FEN1
SCHEMBL438632 0.81 PARP1 (0.45) MAOBPARP1NOS3NOS2BACE1
SCHEMBL1346304 0.81 MAOB (0.46) MAOBPARP1ADRB2NCF1KIF11
SCHEMBL9591539 0.81 MAOB (0.46) MAOBPARP1ADRB2NCF1KIF11
SCHEMBL439004 0.78 ACHE (0.43) BACE1
SCHEMBL437952 0.78 ACHE (0.45) BACE1
SCHEMBL439912 0.77 ALOX5AP (0.42) FEN1ALOX5APKIF11SCN4A
SCHEMBL438818 0.76 ALDH1A1 (0.53) PARP1FEN1ALOX5AP
SCHEMBL437293 0.75 ACHE (0.43) PARP1NOS3NOS2
SCHEMBL9829215 0.75 ADRB2 (0.51) MAOBPARP1NOS3NOS2ADRB2

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
US-20120065166-A1 Bone Modulators And Methods Therewith ESPINA VIRGINIA (US) 2012-03-15 US disclosed