SCHEMBL9953501

SCHEMBL9953501

Cc1ccc(-n2c(Cl)nc3ccc(I)cc3c2=O)c(F)c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPD P32754 4/20 0.47
POLB P06746 1/20 0.45
GLA P06280 1/20 0.44
TDO2 P48775 4/20 0.40
IDO2 Q6ZQW0 4/20 0.40
IDO1 P14902 2/20 0.40
ALDH1A1 P00352 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
HCAR1 Q9BXC0 1/20 0.38
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PDE7A Q13946 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 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
SCHEMBL9953879 0.88 GLA (0.51) POLBGLATDO2IDO2IDO1
SCHEMBL9954234 0.88 ALDH1A1 (0.53) HPDPOLBTDO2IDO2ALDH1A1
SCHEMBL9953739 0.86 HPD (0.47) HPDPOLBGLATDO2IDO2
SCHEMBL9954119 0.85 HCAR1 (0.52) HPDGLATDO2IDO2L3MBTL1
SCHEMBL9952718 0.83 TDO2 (0.48) HPDPOLBGLATDO2IDO2
SCHEMBL9953534 0.80 HCAR1 (0.43) POLBTDO2IDO2ALDH1A1L3MBTL1
SCHEMBL9953965 0.79 POLB (0.41) POLBMEN1KMT2A
SCHEMBL9954749 0.78 PDE7A (0.45) HCAR1PDE7A
SCHEMBL9953129 0.76 POLB (0.41) POLBTDO2IDO2IDO1HCAR1
SCHEMBL9955332 0.76 HCAR1 (0.51) HPDPOLBTDO2IDO2IDO1

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