SCHEMBL9953016

SCHEMBL9953016

COc1ccc(CNc2nc3ccc(I)cc3c(=O)n2-c2ccc(C)cc2F)cc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.44
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
GPR35 Q9HC97 1/20 0.41
POLB P06746 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
GAA P10253 1/20 0.40
HPD P32754 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

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
SCHEMBL9954475 0.92 MEN1 (0.44) CYP3A4MEN1KMT2AGPR35POLB
SCHEMBL9955121 0.91 MAPT (0.46) CYP3A4MEN1KMT2APOLBCYP1A2
SCHEMBL9953429 0.90 TP53 (0.45) CYP3A4MEN1KMT2AGPR35CYP1A2
SCHEMBL9954468 0.87 MEN1 (0.46) CYP3A4MEN1KMT2AGPR35CYP1A2
SCHEMBL9953654 0.85 TP53 (0.42) CYP3A4MEN1KMT2AGPR35CYP1A2
SCHEMBL9954787 0.85 MEN1 (0.44) CYP3A4MEN1KMT2ACYP1A2CYP2D6
SCHEMBL9954411 0.84 CA12 (0.44) CYP3A4MEN1KMT2AGPR35CA12
SCHEMBL9953908 0.83 TP53 (0.47) CYP3A4MEN1KMT2ACYP1A2CYP2D6
SCHEMBL9954480 0.82 L3MBTL1 (0.46) CYP3A4POLBCYP1A2CYP2D6CYP2C9
SCHEMBL9953750 0.82 CYP3A4 (0.44) CYP3A4MEN1KMT2APOLBCYP1A2

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