SCHEMBL791124

SCHEMBL791124

COc1ccc(CNc2nc3ccc(-c4cccc(N)c4)cc3cc2Br)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.46
CLK4 Q9HAZ1 4/20 0.44
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
ALDH1A1 P00352 3/20 0.44
LMNA P02545 3/20 0.44
USP2 O75604 2/20 0.44
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2D6 P10635 2/20 0.44
CYP2C9 P11712 2/20 0.44
TSHR P16473 2/20 0.44
MAPK1 P28482 2/20 0.44
CYP2C19 P33261 2/20 0.44
HSD17B10 Q99714 2/20 0.44
ALOX15 P16050 1/20 0.44
HIF1A Q16665 1/20 0.44
NCF1 P14598 1/20 0.43
ACP1 P24666 2/20 0.42
POLB P06746 2/20 0.42

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
SCHEMBL790421 0.88 APP (0.42) APPCLK4MEN1KMT2AALDH1A1
SCHEMBL790949 0.84 PLAU (0.44) CLK4MEN1KMT2AALDH1A1LMNA
SCHEMBL29523642 0.80 APP (0.55) APPCLK4MEN1KMT2AALDH1A1
SCHEMBL789699 0.79 HTT (0.56) APPCLK4MEN1KMT2AMAPK1
SCHEMBL789612 0.79 MEN1 (0.44) APPMEN1KMT2AALDH1A1HSD17B10
SCHEMBL791199 0.78 RAB9A (0.50) APPLMNAACP1RAB9ADYRK1A
SCHEMBL790131 0.73 PIK3CD (0.56)
SCHEMBL18571730 0.72 MEN1 (0.44) APPMEN1KMT2AALDH1A1HSD17B10
SCHEMBL21061514 0.72 EGFR (0.51) APPMEN1KMT2AALDH1A1HSD17B10
SCHEMBL789801 0.72 HTT (0.45) APPMEN1KMT2ALMNAACP1

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-2012037108-A1 AMINOQUINOLINE DERIVATIVES AS ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2012-03-22 WO disclosed