SCHEMBL9953858

SCHEMBL9953858

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
GPR35 Q9HC97 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
HTR7 P34969 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
MAPT P10636 2/20 0.40
THRB P10828 1/20 0.40
ALDH1A1 P00352 2/20 0.40
USP2 O75604 1/20 0.40
PKM P14618 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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 0.93 SMN1; SMN2 (0.47) MEN1KMT2ALMNATP53CA12
SCHEMBL9954411 0.92 CA12 (0.44) MEN1KMT2AGPR35LMNATP53
SCHEMBL9953908 0.91 TP53 (0.47) MEN1KMT2ALMNATP53CA12
SCHEMBL9953860 0.89 CYP1A2 (0.42) MEN1KMT2ALMNATP53CA12
SCHEMBL9953706 0.89 MITF (0.46) CYP1A2
SCHEMBL9953654 0.87 TP53 (0.42) MEN1KMT2AGPR35LMNATP53
SCHEMBL9953199 0.87 VNN1 (0.46) LMNATP53CA12CA1CA2
SCHEMBL9954475 0.86 MEN1 (0.44) MEN1KMT2AGPR35LMNATP53
SCHEMBL9953429 0.86 TP53 (0.45) MEN1KMT2AGPR35LMNATP53
SCHEMBL9954468 0.85 MEN1 (0.46) MEN1KMT2AGPR35LMNATP53

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