SCHEMBL9954094

SCHEMBL9954094

Nc1nc2ccc(I)cc2c(=O)n1-c1ccc(Br)cc1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HCAR1 Q9BXC0 2/20 0.51
MAPT P10636 1/20 0.41
ATM Q13315 1/20 0.41
HPD P32754 2/20 0.41
CA12 O43570 4/20 0.40
CA1 P00915 4/20 0.40
CA2 P00918 4/20 0.40
CA9 Q16790 4/20 0.40
PTGS2 P35354 1/20 0.39
POLB P06746 1/20 0.39
GRM1 Q13255 1/20 0.38
PI4KA P42356 1/20 0.37
PIK3CG P48736 1/20 0.37
TYMS P04818 1/20 0.37

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
SCHEMBL9953324 0.87 HCAR1 (0.50) HCAR1CA12CA1CA2CA9
SCHEMBL9954651 0.86 POLB (0.53) HPDCA12CA1CA2CA9
SCHEMBL9955586 0.86 HPD (0.44) HCAR1HPDCA12CA1CA2
SCHEMBL9954122 0.84 ESR2 (0.44) HCAR1MAPTATMHPDCA12
SCHEMBL9953556 0.83 CA12 (0.42) HCAR1CA12CA1CA2CA9
SCHEMBL9954066 0.83 PI4KA (0.46) CA12CA1CA2CA9POLB
SCHEMBL9953024 0.83 CA12 (0.52) MAPTHPDCA12CA1CA2
SCHEMBL9954672 0.82 TDO2 (0.52) MAPTPOLBPIK3CG
SCHEMBL9953980 0.82 ATM (0.51) HCAR1MAPTATMPTGS2POLB
SCHEMBL9953800 0.81 POLB (0.41) HCAR1CA12CA1CA2CA9

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 2 patents. 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
WO-2012087938-A1 QUINAZOLINONE DERIVATIVES AS ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2012-06-28 WO disclosed