SCHEMBL9954411

SCHEMBL9954411

COc1ccc(CNc2nc3ccc(I)cc3c(=O)n2-c2cc(F)cc(F)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA9 Q16790 2/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
GPR35 Q9HC97 1/20 0.43
MAPT P10636 2/20 0.42
USP2 O75604 1/20 0.42
ALDH1A1 P00352 1/20 0.42
PKM P14618 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
LMNA P02545 2/20 0.41
TP53 P04637 2/20 0.41
RXFP1 Q9HBX9 1/20 0.40
THRB P10828 1/20 0.40
CYP3A4 P08684 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
SCHEMBL9953858 0.92 MEN1 (0.41) CA12CA1CA2CA9MEN1
SCHEMBL9954787 0.89 MEN1 (0.44) CA12CA1CA2CA9MEN1
SCHEMBL9953908 0.89 TP53 (0.47) CA12CA1CA2CA9MEN1
SCHEMBL9954899 0.87 SMN1; SMN2 (0.47) CA12CA1CA2CA9MEN1
SCHEMBL9954475 0.87 MEN1 (0.44) CA12CA1CA2CA9MEN1
SCHEMBL9953937 0.86 MEN1 (0.46) CA12CA1CA2CA9MEN1
SCHEMBL9953429 0.86 TP53 (0.45) MEN1KMT2AGPR35MAPTLMNA
SCHEMBL9954815 0.86 ACP1 (0.47) CA12CA1CA2CA9
SCHEMBL9954468 0.86 MEN1 (0.46) CA12CA1CA2CA9MEN1
SCHEMBL9953654 0.86 TP53 (0.42) CA12CA1CA2CA9MEN1

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