SCHEMBL13960

SCHEMBL13960

COc1ccc(CNc2nc3ccc(Br)cc3cc2CCC(N)=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
GAA P10253 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MTNR1A P48039 1/20 0.42
TP53 P04637 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
FFAR1 O14842 1/20 0.41
APP P05067 1/20 0.40
AURKA O14965 1/20 0.40
RPS6KB1 P23443 1/20 0.40
PDE10A Q9Y233 1/20 0.40
CD38 P28907 1/20 0.40
PRUNE1 Q86TP1 1/20 0.40
VNN1 O95497 1/20 0.39
TSHR P16473 1/20 0.39
SCD O00767 1/20 0.39

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
SCHEMBL14321942 0.81 BACE1 (0.49) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL9314 0.78 MEN1 (0.48) MAPTMEN1KMT2AGAANPC1
SCHEMBL2278793 0.78 MEN1 (0.50) MAPTMEN1KMT2AGAANPC1
SCHEMBL8743 0.78 ALDH1A1 (0.38) MAPTKMT2ANPC1RAB9ATP53
SCHEMBL13635 0.78 MEN1 (0.43) MAPTMEN1KMT2AGAANPC1
SCHEMBL8834 0.78 POLB (0.47) MAPTMEN1KMT2AGAANPC1
SCHEMBL9404 0.78 MEN1 (0.43) MAPTMEN1KMT2AGAANPC1
SCHEMBL9405 0.78 MEN1 (0.43) MAPTMEN1KMT2AGAANPC1
SCHEMBL13644 0.78 MAPT (0.43) MAPTMEN1KMT2AGAANPC1
SCHEMBL9775 0.78 POLB (0.47) MAPTMEN1KMT2AGAANPC1

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-2011063233-A1 AMINO HETEROARYL COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2011-05-26 WO disclosed