SCHEMBL9953199

SCHEMBL9953199

COc1ccc(CNc2nc3ccc(I)cc3c(=O)n2-c2cccc(C#N)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
VNN1 O95497 2/20 0.46
DYRK1A Q13627 1/20 0.46
CLK4 Q9HAZ1 1/20 0.46
ACP1 P24666 1/20 0.44
NPBWR1 P48145 1/20 0.41
MCHR1 Q99705 1/20 0.41
PDE5A O76074 1/20 0.40
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
GSK3B P49841 1/20 0.39
MAPT P10636 1/20 0.39
THRB P10828 1/20 0.39

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
SCHEMBL9954899 0.90 SMN1; SMN2 (0.47) LMNATP53CA12CA1CA2
SCHEMBL9953908 0.88 TP53 (0.47) ACP1LMNATP53CA12CA1
SCHEMBL9953860 0.87 CYP1A2 (0.42) LMNATP53CA12CA1CA2
SCHEMBL9953858 0.87 MEN1 (0.41) LMNATP53CA12CA1CA2
SCHEMBL9953706 0.84 MITF (0.46) VNN1ACP1NPBWR1MCHR1
SCHEMBL9954787 0.83 MEN1 (0.44) LMNATP53CA12CA1CA2
SCHEMBL9953937 0.82 MEN1 (0.46) LMNATP53CA12CA1CA2
SCHEMBL9954411 0.82 CA12 (0.44) LMNATP53CA12CA1CA2
SCHEMBL9953750 0.82 CYP3A4 (0.44) ACP1LMNATP53CA12CA1
SCHEMBL9955119 0.81 MAPT (0.46) ACP1LMNATP53MAPTTHRB

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-2012087938-A1 QUINAZOLINONE DERIVATIVES AS ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2012-06-28 WO disclosed