SCHEMBL9953451

SCHEMBL9953451

COc1ccc(CNc2nc3ccc(Br)cc3c(=O)n2-c2ccccc2C(C)C)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.44
THRB P10828 1/20 0.44
TP53 P04637 2/20 0.43
LMNA P02545 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
TSHR P16473 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
NCF1 P14598 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ACP1 P24666 1/20 0.40
MAPK8 P45983 1/20 0.40
APP P05067 1/20 0.39

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 0.87 MAPT (0.48) MAPTTHRBTP53LMNAMEN1
SCHEMBL9953751 0.83 KLKB1 (0.45) MAPTTHRBTP53LMNAMEN1
SCHEMBL9953332 0.81 MAPT (0.46) MAPTTHRBTP53LMNAMEN1
SCHEMBL9953328 0.81 MAPT (0.46) MAPTTHRBTP53LMNAMEN1
SCHEMBL9954127 0.81 MAPT (0.46) MAPTTHRBTP53LMNAMEN1
SCHEMBL9955390 0.81 MAPT (0.44) MAPTTHRBTP53LMNAMEN1
SCHEMBL9953974 0.80 KLKB1 (0.45) MAPTTHRBTP53LMNAMEN1
SCHEMBL9953937 0.77 MEN1 (0.46) MAPTTP53LMNAMEN1KMT2A
SCHEMBL9953429 0.77 TP53 (0.45) MAPTTHRBTP53LMNAMEN1
SCHEMBL9954480 0.77 L3MBTL1 (0.46) MAPTTHRBTP53LMNACYP1A2

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