SCHEMBL789699

SCHEMBL789699

COc1ccc(CNc2nc3ccc(Cl)cc3cc2Br)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.56
HRH4 Q9H3N8 1/20 0.52
POLB P06746 1/20 0.47
ACP1 P24666 1/20 0.46
CLK4 Q9HAZ1 2/20 0.46
CLK1 P49759 1/20 0.46
CLK2 P49760 1/20 0.46
DYRK1A Q13627 1/20 0.46
DYRK1B Q9Y463 1/20 0.46
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
NR1H4 Q96RI1 1/20 0.44
MAPT P10636 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPC1 O15118 1/20 0.44
GAA P10253 1/20 0.44
RAB9A P51151 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
APP P05067 1/20 0.44
CNR1 P21554 1/20 0.43

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
SCHEMBL789612 0.85 MEN1 (0.44) HTTHRH4POLBACP1MEN1
SCHEMBL29523642 0.84 APP (0.55) POLBACP1CLK4MEN1KMT2A
SCHEMBL789801 0.82 HTT (0.45) HTTHRH4POLBACP1MEN1
SCHEMBL791124 0.79 APP (0.46) HTTPOLBACP1CLK4DYRK1A
SCHEMBL18571730 0.78 MEN1 (0.44) HTTPOLBACP1MEN1KMT2A
SCHEMBL21061514 0.78 EGFR (0.51) HTTPOLBACP1MEN1KMT2A
SCHEMBL790421 0.77 APP (0.42) POLBACP1CLK4DYRK1AMEN1
SCHEMBL21805201 0.77 HTT (0.54) HTTPOLBCLK4CLK1CLK2
SCHEMBL3114867 0.77 HRH4 (0.67) HTTHRH4POLBACP1MEN1
SCHEMBL21682034 0.76 MEN1 (0.42) HTTHRH4POLBMEN1KMT2A

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