SCHEMBL9954573

SCHEMBL9954573

COc1ccc(CNc2nc3ccc(I)cc3c(=O)n2-c2ccccc2C(F)(F)F)cc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
USP1 O94782 2/20 0.47
WDR48 Q8TAF3 2/20 0.47
ALDH1A1 P00352 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MAPT P10636 2/20 0.44
THRB P10828 1/20 0.44
ACP1 P24666 2/20 0.42
TP53 P04637 2/20 0.42
LMNA P02545 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
FABP4 P15090 1/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL9953429 0.89 TP53 (0.45) MAPTTHRBACP1TP53LMNA
SCHEMBL9953491 0.88 HCAR1 (0.41) USP1WDR48ALDH1A1L3MBTL1MAPT
SCHEMBL9954480 0.87 L3MBTL1 (0.46) ALDH1A1L3MBTL1MAPTTHRBTP53
SCHEMBL9955100 0.86 P2RX7 (0.46) ALDH1A1L3MBTL1MAPTTHRBACP1
SCHEMBL9955119 0.86 MAPT (0.46) ALDH1A1L3MBTL1MAPTTHRBACP1
SCHEMBL9953908 0.86 TP53 (0.47) ALDH1A1L3MBTL1MAPTTHRBACP1
SCHEMBL9954815 0.85 ACP1 (0.47) ACP1FABP4
SCHEMBL9953706 0.84 MITF (0.46) ACP1CYP1A2
SCHEMBL9953654 0.83 TP53 (0.42) ALDH1A1MAPTTHRBTP53LMNA
SCHEMBL9954899 0.82 SMN1; SMN2 (0.47) ALDH1A1MAPTTHRBTP53LMNA

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