SCHEMBL9137

SCHEMBL9137

CCOC(=O)C=Cc1cc2cc(Br)c(F)cc2nc1NCc1ccc(OC)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.42
MAPT P10636 3/20 0.41
ZAP70 P43403 1/20 0.39
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 3/20 0.39
ATM Q13315 1/20 0.39
RECQL P46063 1/20 0.39
P2RY12 Q9H244 1/20 0.38
TDP1 Q9NUW8 2/20 0.37
JAK2 O60674 1/20 0.37
TYK2 P29597 1/20 0.37
VNN1 O95497 1/20 0.37
HPGD P15428 1/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
EGFR P00533 1/20 0.37
JAK3 P52333 1/20 0.37
BTK Q06187 1/20 0.37
TP53 P04637 1/20 0.36
HDAC1 Q13547 1/20 0.36

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
SCHEMBL8782 0.93 MAPT (0.41) POLBMAPTKDM4EALDH1A1ATM
SCHEMBL8781 0.93 MAPT (0.41) POLBMAPTKDM4EALDH1A1ATM
SCHEMBL13906 0.89 MAPT (0.41) MAPTKDM4EALDH1A1RECQLTDP1
SCHEMBL9909 0.83 MAP2K4 (0.41) POLBMAPTJAK2TYK2VNN1
SCHEMBL31544170 0.83 KDM4E (0.47) MAPTKDM4EALDH1A1TDP1VNN1
SCHEMBL14321783 0.82 VNN1 (0.39) MAPTKDM4EALDH1A1TDP1VNN1
SCHEMBL14321784 0.82 VNN1 (0.39) MAPTKDM4EALDH1A1TDP1VNN1
SCHEMBL9136 0.81 PPARG (0.39) MAPTKDM4ETDP1VNN1MEN1
SCHEMBL9661 0.81 ALDH1A1 (0.44) POLBMAPTKDM4EALDH1A1RECQL
SCHEMBL9660 0.81 ALDH1A1 (0.44) POLBMAPTKDM4EALDH1A1RECQL

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