SCHEMBL9953706

SCHEMBL9953706

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

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MITF O75030 1/20 0.46
RECQL P46063 1/20 0.46
ACP1 P24666 1/20 0.43
VNN1 O95497 1/20 0.42
SCD O00767 4/20 0.41
CYP1A2 P05177 1/20 0.41
NPBWR1 P48145 1/20 0.41
MCHR1 Q99705 1/20 0.41

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
SCHEMBL9954815 0.90 ACP1 (0.47) ACP1SCD
SCHEMBL9954899 0.90 SMN1; SMN2 (0.47) CYP1A2
SCHEMBL9953858 0.89 MEN1 (0.41) CYP1A2
SCHEMBL9953908 0.88 TP53 (0.47) ACP1CYP1A2
SCHEMBL9953860 0.87 CYP1A2 (0.42) CYP1A2
SCHEMBL9953199 0.84 VNN1 (0.46) ACP1VNN1NPBWR1MCHR1
SCHEMBL9954573 0.84 USP1 (0.47) ACP1CYP1A2
SCHEMBL9954411 0.84 CA12 (0.44)
SCHEMBL9953654 0.83 TP53 (0.42) CYP1A2
SCHEMBL9954787 0.83 MEN1 (0.44) CYP1A2

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