SCHEMBL9953974

SCHEMBL9953974

COc1ccc(CNc2nc3ccc(Br)cc3c(=O)n2-c2cccnc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 3/20 0.45
KLK1 P06870 1/20 0.45
F2 P00734 4/20 0.44
ALDH1A1 P00352 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
LMNA P02545 2/20 0.44
HTT P42858 1/20 0.44
MAPT P10636 5/20 0.44
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
G6PD P11413 1/20 0.43
TSHR P16473 2/20 0.43
MAPK1 P28482 1/20 0.43
DYRK1A Q13627 1/20 0.43
CLK4 Q9HAZ1 1/20 0.43
MAT2A P31153 1/20 0.42
THRB P10828 1/20 0.42
GAA P10253 1/20 0.42
TP53 P04637 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
SCHEMBL9953825 0.91 MAPT (0.48) ALDH1A1L3MBTL1LMNAMAPTMEN1
SCHEMBL9955390 0.89 MAPT (0.44) ALDH1A1L3MBTL1LMNAMAPTMEN1
SCHEMBL9953751 0.83 KLKB1 (0.45) KLKB1KLK1F2LMNAMAPT
SCHEMBL9953860 0.82 CYP1A2 (0.42) ALDH1A1L3MBTL1LMNAMAPTMEN1
SCHEMBL9953937 0.80 MEN1 (0.46) ALDH1A1L3MBTL1LMNAMAPTMEN1
SCHEMBL9953451 0.80 MAPT (0.44) LMNAMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL9952990 0.79 KDM4E (0.52) ALDH1A1L3MBTL1LMNAHTTMAPT
SCHEMBL9953908 0.79 TP53 (0.47) ALDH1A1L3MBTL1LMNAMAPTMEN1
SCHEMBL9954899 0.77 SMN1; SMN2 (0.47) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL9953328 0.76 MAPT (0.46) L3MBTL1LMNAMAPTMEN1KMT2A

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 1 patent. 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