SCHEMBL9953877

SCHEMBL9953877

COC(=O)c1ccc(-n2c(Cl)nc3ccc(I)cc3c2=O)cc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.54
MAPT P10636 2/20 0.46
ATM Q13315 1/20 0.46
CA12 O43570 5/20 0.43
CA1 P00915 5/20 0.43
CA2 P00918 5/20 0.43
CA9 Q16790 5/20 0.43
ALDH1A1 P00352 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 1/20 0.41
ESR2 Q92731 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HPD P32754 1/20 0.41

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
SCHEMBL9954526 0.86 POLB (0.54) POLBMAPTATMCA12CA1
SCHEMBL10517573 0.81 NPC1 (0.46) POLBALDH1A1SMN1; SMN2ESR2MEN1
SCHEMBL9954457 0.80 HCAR1 (0.50) CA12CA1CA2CA9SMN1; SMN2
SCHEMBL9954122 0.79 ESR2 (0.44) POLBMAPTATMCA12CA1
SCHEMBL2120797 0.79 POLB (0.53) POLBMAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL2119910 0.79 ALDH1A1 (0.62) POLBMAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL12468498 0.77 POLB (0.51) POLBMAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL9955556 0.77 CA12 (0.47) POLBCA12CA1CA2CA9
SCHEMBL9953965 0.77 POLB (0.41) POLBCA12CA1CA2CA9
SCHEMBL9954100 0.77 SMN1; SMN2 (0.55) POLBMAPTALDH1A1SMN1; SMN2LMNA

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