SCHEMBL8776

SCHEMBL8776

CCOC(=O)C(C)=Cc1cc2cc(Br)ccc2nc1NCc1ccc(OC)cc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.42
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
GAA P10253 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
TDP1 Q9NUW8 2/20 0.39
TP53 P04637 1/20 0.39
POLB P06746 1/20 0.39
CTNNB1 P35222 1/20 0.39
TCF7L2 Q9NQB0 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
LMNA P02545 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
PRUNE1 Q86TP1 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
SCHEMBL8775 1.00 MAPT (0.42) MAPTMEN1KMT2AGAANPC1
SCHEMBL13635 0.93 MEN1 (0.43) MAPTMEN1KMT2AGAANPC1
SCHEMBL9404 0.89 MEN1 (0.43) MAPTMEN1KMT2AGAANPC1
SCHEMBL9405 0.89 MEN1 (0.43) MAPTMEN1KMT2AGAANPC1
SCHEMBL9314 0.82 MEN1 (0.48) MAPTMEN1KMT2AGAANPC1
SCHEMBL14321926 0.82 ALDH1A1 (0.39) MAPTMEN1KMT2AGAANPC1
SCHEMBL14321924 0.82 ALDH1A1 (0.39) MAPTMEN1KMT2AGAANPC1
SCHEMBL13644 0.81 MAPT (0.43) MAPTMEN1KMT2AGAANPC1
SCHEMBL8834 0.81 POLB (0.47) MAPTMEN1KMT2AGAANPC1
SCHEMBL9775 0.81 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2504315-A1 AMINO HETEROARYL COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE Amgen Inc. (US) 2012-10-03 EP disclosed
WO-2011063233-A1 AMINO HETEROARYL COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2011-05-26 WO disclosed