SCHEMBL9954480

SCHEMBL9954480

COc1ccc(CNc2nc3ccc(I)cc3c(=O)n2-c2ccccc2OC)cc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.46
MAPT P10636 3/20 0.46
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
HPGD P15428 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
LMNA P02545 1/20 0.45
TP53 P04637 1/20 0.45
THRB P10828 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
POLB P06746 1/20 0.44
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL9953491 0.91 HCAR1 (0.41) L3MBTL1MAPTKDM4EALDH1A1HPGD
SCHEMBL9953429 0.90 TP53 (0.45) MAPTLMNATP53THRBCYP1A2
SCHEMBL9955100 0.90 P2RX7 (0.46) L3MBTL1MAPTKDM4EALDH1A1HPGD
SCHEMBL9955119 0.90 MAPT (0.46) L3MBTL1MAPTKDM4EALDH1A1HPGD
SCHEMBL9953908 0.89 TP53 (0.47) L3MBTL1MAPTKDM4EALDH1A1HPGD
SCHEMBL9954573 0.87 USP1 (0.47) L3MBTL1MAPTALDH1A1LMNATP53
SCHEMBL9954899 0.85 SMN1; SMN2 (0.47) MAPTKDM4EALDH1A1LMNATP53
SCHEMBL9954475 0.85 MEN1 (0.44) MAPTALDH1A1LMNATP53THRB
SCHEMBL9953750 0.85 CYP3A4 (0.44) L3MBTL1MAPTKDM4EALDH1A1HPGD
SCHEMBL9954468 0.84 MEN1 (0.46) MAPTALDH1A1LMNATP53CYP1A2

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