SCHEMBL9136

SCHEMBL9136

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.39
VNN1 O95497 1/20 0.38
EGFR P00533 2/20 0.37
JAK3 P52333 1/20 0.37
BTK Q06187 1/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
GPR35 Q9HC97 1/20 0.37
APP P05067 1/20 0.36
PRUNE1 Q86TP1 1/20 0.36
MAP2K4 P45985 1/20 0.36
MAPT P10636 2/20 0.35
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ASPH Q12797 1/20 0.35

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
SCHEMBL14321783 0.90 VNN1 (0.39) PPARGVNN1EGFRJAK3BTK
SCHEMBL14321784 0.90 VNN1 (0.39) PPARGVNN1EGFRJAK3BTK
SCHEMBL13906 0.84 MAPT (0.41) VNN1EGFRJAK3BTKMEN1
SCHEMBL9909 0.84 MAP2K4 (0.41) VNN1EGFRJAK3BTKMEN1
SCHEMBL8781 0.83 MAPT (0.41) VNN1EGFRJAK3BTKMEN1
SCHEMBL8782 0.83 MAPT (0.41) VNN1EGFRJAK3BTKMEN1
SCHEMBL9137 0.81 POLB (0.42) VNN1EGFRJAK3BTKMEN1
SCHEMBL31544170 0.78 KDM4E (0.47) VNN1MEN1KMT2AMAPTKDM4E
SCHEMBL31544150 0.77 APP (0.42) VNN1EGFRMEN1KMT2AAPP
SCHEMBL9405 0.76 MEN1 (0.43) EGFRMEN1KMT2AAPPPRUNE1

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