SCHEMBL9953879

SCHEMBL9953879

O=c1c2cc(I)ccc2nc(Cl)n1-c1ccc(F)cc1F

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.51
TDO2 P48775 6/20 0.47
IDO1 P14902 5/20 0.47
IDO2 Q6ZQW0 4/20 0.47
L3MBTL1 Q9Y468 1/20 0.43
TP53 P04637 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
MEN1 O00255 1/20 0.40
APAF1 O14727 1/20 0.40
NPC1 O15118 1/20 0.40
MITF O75030 1/20 0.40
HSP90AA1 P07900 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 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
SCHEMBL9953501 0.88 HPD (0.47) GLATDO2IDO1IDO2L3MBTL1
SCHEMBL9952718 0.88 TDO2 (0.48) GLATDO2IDO1IDO2L3MBTL1
SCHEMBL9954119 0.87 HCAR1 (0.52) GLATDO2IDO2L3MBTL1
SCHEMBL9952904 0.85 GLA (0.51) GLATDO2IDO1IDO2L3MBTL1
SCHEMBL9953129 0.81 POLB (0.41) TDO2IDO1IDO2POLB
SCHEMBL9954657 0.80 HPD (0.44) TDO2IDO1IDO2POLB
SCHEMBL30632412 0.80 TDO2 (0.52) TDO2IDO1IDO2
SCHEMBL9954749 0.80 PDE7A (0.45)
SCHEMBL9955332 0.78 HCAR1 (0.51) TDO2IDO1IDO2TP53POLB
SCHEMBL9954234 0.78 ALDH1A1 (0.53) TDO2IDO2TP53POLBMAPT

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