SCHEMBL9954576

SCHEMBL9954576

O=c1c2cc(I)ccc2nc(Cl)n1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.41
POLB P06746 1/20 0.39
NPC1 O15118 1/20 0.37
TRPV4 Q9HBA0 2/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
HCAR1 Q9BXC0 1/20 0.36
MIF P14174 1/20 0.36
RAD51 Q06609 1/20 0.36

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
SCHEMBL9953693 0.87 LMNA (0.47)
SCHEMBL10517573 0.85 NPC1 (0.46) ESR2POLBNPC1
SCHEMBL9954066 0.85 PI4KA (0.46) POLBTRPV4CA12CA1CA2
SCHEMBL9954457 0.84 HCAR1 (0.50) ESR2NPC1CA12CA1CA2
SCHEMBL9954122 0.83 ESR2 (0.44) ESR2POLBNPC1CA12CA1
SCHEMBL9955025 0.82 ESR2 (0.41) ESR2POLBNPC1CA12CA1
SCHEMBL9953129 0.81 POLB (0.41) ESR2POLBCA12CA1CA2
SCHEMBL9954881 0.79 TDO2 (0.52) ESR2POLBNPC1
SCHEMBL9953657 0.78 HCAR1 (0.56) POLBHCAR1
SCHEMBL9953965 0.78 POLB (0.41) ESR2POLBNPC1CA12CA1

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