SCHEMBL9955332

SCHEMBL9955332

O=c1c2cc(I)ccc2nc(Cl)n1-c1ccccc1Cl

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HCAR1 Q9BXC0 1/20 0.51
LMNA P02545 2/20 0.46
TP53 P04637 1/20 0.46
ALDH1A1 P00352 1/20 0.44
POLB P06746 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HPD P32754 2/20 0.44
IDO1 P14902 1/20 0.43
TDO2 P48775 1/20 0.43
IDO2 Q6ZQW0 1/20 0.43

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
SCHEMBL9954119 0.88 HCAR1 (0.52) HCAR1LMNAHPDTDO2IDO2
SCHEMBL9954747 0.87 HCAR1 (0.53) HCAR1LMNATP53ALDH1A1POLB
SCHEMBL9954105 0.87 HCAR1 (0.53) HCAR1TP53HPDTDO2IDO2
SCHEMBL9952976 0.87 LMNA (0.45) HCAR1LMNATP53ALDH1A1IDO1
SCHEMBL9954457 0.85 HCAR1 (0.50) HCAR1SMN1; SMN2
SCHEMBL6214003 0.84 TDO2 (0.57) TDO2IDO2
SCHEMBL9954370 0.84 L3MBTL1 (0.51) LMNATP53ALDH1A1HPD
SCHEMBL9953657 0.84 HCAR1 (0.56) HCAR1LMNAALDH1A1POLBTDO2
SCHEMBL9953531 0.84 PDE4D (0.42) HCAR1TDO2IDO2
SCHEMBL9954540 0.81 HCAR1 (0.58) HCAR1TDO2IDO2

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