SCHEMBL9954475

SCHEMBL9954475

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
GPR35 Q9HC97 1/20 0.44
MAPT P10636 3/20 0.43
TP53 P04637 3/20 0.43
POLB P06746 1/20 0.43
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
GLA P06280 1/20 0.42
LMNA P02545 2/20 0.41
RXFP1 Q9HBX9 1/20 0.41
MAP2K4 P45985 1/20 0.41
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
IDO1 P14902 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
SCHEMBL9954468 0.92 MEN1 (0.46) MEN1KMT2AGPR35MAPTTP53
SCHEMBL9953016 0.92 CYP3A4 (0.44) MEN1KMT2AGPR35POLBCA12
SCHEMBL9953429 0.91 TP53 (0.45) MEN1KMT2AGPR35MAPTTP53
SCHEMBL9954411 0.87 CA12 (0.44) MEN1KMT2AGPR35MAPTTP53
SCHEMBL9953858 0.86 MEN1 (0.41) MEN1KMT2AGPR35MAPTTP53
SCHEMBL9953654 0.86 TP53 (0.42) MEN1KMT2AGPR35MAPTTP53
SCHEMBL9954480 0.85 L3MBTL1 (0.46) MAPTTP53POLBALDH1A1LMNA
SCHEMBL9955121 0.84 MAPT (0.46) MEN1KMT2AMAPTPOLBALDH1A1
SCHEMBL9953908 0.84 TP53 (0.47) MEN1KMT2AMAPTTP53ALDH1A1
SCHEMBL9955100 0.82 P2RX7 (0.46) MAPTTP53ALDH1A1LMNATHRB

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