SCHEMBL9953328

SCHEMBL9953328

COc1ccc(CNc2nc3ccc(Br)cc3c(=O)n2[C@H](C)c2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.46
THRB P10828 1/20 0.46
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
TSHR P16473 1/20 0.45
TP53 P04637 3/20 0.44
LMNA P02545 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
NCF1 P14598 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ACP1 P24666 1/20 0.41
APP P05067 2/20 0.41
MAPK8 P45983 1/20 0.41
SUMO3 P55854 1/20 0.40
SUMO2 P61956 1/20 0.40
SUMO1 P63165 1/20 0.40

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
SCHEMBL9954127 1.00 MAPT (0.46) MAPTTHRBMEN1KMT2ATSHR
SCHEMBL9953332 1.00 MAPT (0.46) MAPTTHRBMEN1KMT2ATSHR
SCHEMBL9953825 0.82 MAPT (0.48) MAPTTHRBMEN1KMT2ATSHR
SCHEMBL9953451 0.81 MAPT (0.44) MAPTTHRBMEN1KMT2ATSHR
SCHEMBL9953751 0.79 KLKB1 (0.45) MAPTTHRBMEN1KMT2ATSHR
SCHEMBL9955390 0.77 MAPT (0.44) MAPTTHRBMEN1KMT2ATSHR
SCHEMBL9953974 0.76 KLKB1 (0.45) MAPTTHRBMEN1KMT2ATSHR
SCHEMBL9954292 0.73 PTGS2 (0.49) MAPTMEN1KMT2ACYP1A2RAB9A
SCHEMBL9954555 0.73 PTGS2 (0.49) MAPTMEN1KMT2ACYP1A2RAB9A
SCHEMBL9954289 0.73 PTGS2 (0.49) MAPTMEN1KMT2ACYP1A2RAB9A

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