SCHEMBL9954657

SCHEMBL9954657

O=c1c2cc(I)ccc2nc(Cl)n1-c1cccc(F)c1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HPD P32754 2/20 0.44
TGM2 P21980 1/20 0.42
TDO2 P48775 2/20 0.40
IDO2 Q6ZQW0 2/20 0.40
POLB P06746 1/20 0.39
IDO1 P14902 1/20 0.39
HCAR1 Q9BXC0 1/20 0.39
METAP2 P50579 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
SCHEMBL9953129 0.88 POLB (0.41) TDO2IDO2POLBIDO1HCAR1
SCHEMBL9954457 0.87 HCAR1 (0.50) HCAR1
SCHEMBL9953665 0.85 TGM2 (0.45) HPDTGM2
SCHEMBL9954374 0.85 HPD (0.44) HPDHCAR1
SCHEMBL9953693 0.84 LMNA (0.47)
SCHEMBL9954100 0.83 SMN1; SMN2 (0.55) HPDPOLB
SCHEMBL9954749 0.82 PDE7A (0.45) HCAR1
SCHEMBL9954549 0.82 MAT2A (0.43)
SCHEMBL23045340 0.81 TDO2 (0.54) TDO2IDO2POLBIDO1HCAR1
SCHEMBL29623384 0.81 TDO2 (0.54) TDO2IDO2POLBIDO1HCAR1

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