SCHEMBL9954343

SCHEMBL9954343

COc1ccc(-n2c(N)nc3ccc(Br)cc3c2=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
ATM Q13315 1/20 0.49
ALDH1A1 P00352 3/20 0.48
LMNA P02545 2/20 0.47
RAB9A P51151 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
HCAR1 Q9BXC0 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
SCHEMBL10289024 0.88 SMN1; SMN2 (0.55) MAPTMEN1KMT2AALDH1A1CYP1A2
SCHEMBL9953024 0.85 CA12 (0.52) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL9953980 0.84 ATM (0.51) MAPTMEN1KMT2AATMALDH1A1
SCHEMBL10288659 0.83 POLB (0.53) MAPTMEN1KMT2AATMLMNA
SCHEMBL14247198 0.83 KMT2A (0.51) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL29175100 0.82 ALDH1A1 (0.70) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL9954470 0.82 HCAR1 (0.46) MAPTMEN1KMT2AATMALDH1A1
SCHEMBL9953670 0.79 ALDH1A1 (0.44) MAPTMEN1KMT2AATMALDH1A1
SCHEMBL9954094 0.78 HCAR1 (0.51) MAPTATMHCAR1
SCHEMBL9994903 0.78 HCAR1 (0.47) MAPTMEN1KMT2AALDH1A1RAB9A

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