SCHEMBL9953980

SCHEMBL9953980

Nc1nc2ccc(Br)cc2c(=O)n1-c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
HCAR1 Q9BXC0 2/20 0.50
ALDH1A1 P00352 2/20 0.50
RXFP1 Q9HBX9 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
GABRA1 P14867 1/20 0.48
GABRG2 P18507 1/20 0.48
GABRB3 P28472 1/20 0.48
GABRA5 P31644 1/20 0.48
GABRA3 P34903 1/20 0.48
GABRA2 P47869 1/20 0.48
GABRA6 Q16445 1/20 0.48
MAPT P10636 2/20 0.46
PI4KA P42356 4/20 0.46
PIK3CG P48736 2/20 0.46
PTGS2 P35354 1/20 0.45
KDM4E B2RXH2 1/20 0.45
POLB P06746 1/20 0.45

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
SCHEMBL9954470 0.89 HCAR1 (0.46) ATMMEN1KMT2AHCAR1ALDH1A1
SCHEMBL10288659 0.87 POLB (0.53) ATMMEN1KMT2AHCAR1MAPT
SCHEMBL9954589 0.87 ALOX12 (0.50) ATMMEN1KMT2AALDH1A1RXFP1
SCHEMBL10289024 0.85 SMN1; SMN2 (0.55) MEN1KMT2AALDH1A1MAPTPI4KA
SCHEMBL9954343 0.84 MAPT (0.49) ATMMEN1KMT2AHCAR1ALDH1A1
SCHEMBL9954958 0.82 ALDH1A1 (0.47) ATMMEN1KMT2AALDH1A1GABRA1
SCHEMBL9953324 0.82 HCAR1 (0.50) HCAR1PI4KAPIK3CGKDM4E
SCHEMBL9670140 0.82 MEN1 (0.51) ATMMEN1KMT2AALDH1A1RXFP1
SCHEMBL9954421 0.82 MEN1 (0.51) ATMMEN1KMT2AHCAR1ALDH1A1
SCHEMBL9954094 0.82 HCAR1 (0.51) ATMHCAR1MAPTPI4KAPIK3CG

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