SCHEMBL9952990

SCHEMBL9952990

COc1ccc(CNc2nc3ccc(Br)cc3c(=O)n2-c2ccccc2)cc1OC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.52
ALDH1A1 P00352 4/20 0.52
POLB P06746 2/20 0.52
MAPT P10636 1/20 0.52
RAB9A P51151 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
THRB P10828 1/20 0.50
LMNA P02545 2/20 0.47
APP P05067 2/20 0.47
HPGD P15428 3/20 0.46
NPSR1 Q6W5P4 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
BCHE P06276 2/20 0.45
ACHE P22303 2/20 0.45
MEN1 O00255 2/20 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
SCHEMBL9953825 0.88 MAPT (0.48) KDM4EALDH1A1MAPTCYP1A2CYP3A4
SCHEMBL9953906 0.88 SMN1; SMN2 (0.44) KDM4EALDH1A1POLBMAPTRAB9A
SCHEMBL9954417 0.87 SMN1; SMN2 (0.44) KDM4EALDH1A1POLBMAPTRAB9A
SCHEMBL9954352 0.85 SMN1; SMN2 (0.66) ALDH1A1MAPTSMN1; SMN2CYP1A2CYP3A4
SCHEMBL9953173 0.81 SMN1; SMN2 (0.48) ALDH1A1POLBMAPTSMN1; SMN2CYP1A2
SCHEMBL9955390 0.80 MAPT (0.44) KDM4EALDH1A1MAPTRAB9ATHRB
SCHEMBL9953974 0.79 KLKB1 (0.45) ALDH1A1MAPTSMN1; SMN2THRBLMNA
SCHEMBL9953751 0.76 KLKB1 (0.45) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL9953908 0.76 TP53 (0.47) KDM4EALDH1A1MAPTSMN1; SMN2CYP1A2
SCHEMBL9953155 0.76 ATM (0.48) ALDH1A1MAPTL3MBTL1MEN1KMT2A

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