SCHEMBL4629073

SCHEMBL4629073

CCCC[Sn](CCCC)(CCCC)c1cccc(CC=O)c1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.32
CYP2D6 P10635 2/20 0.32
CYP2C19 P33261 2/20 0.32
GRIN2D O15399 1/20 0.31
GRIN3B O60391 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2A Q12879 1/20 0.31
GRIN2B Q13224 1/20 0.31
GRIN2C Q14957 1/20 0.31
GRIN3A Q8TCU5 1/20 0.31
LPL P06858 2/20 0.31
LIPG Q9Y5X9 2/20 0.31
XIAP P98170 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
SIGMAR1 Q99720 1/20 0.30

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
SCHEMBL3054149 0.83 LPL (0.33) CYP1A2CYP2D6CYP2C19GRIN2DGRIN3B
SCHEMBL2700589 0.80 ENPP2 (0.38) LPLLIPG
SCHEMBL4342311 0.80 PNMT (0.40) SMN1; SMN2
SCHEMBL2700691 0.80 TRPA1 (0.34) CYP1A2CYP2D6CYP2C19GRIN2DGRIN3B
SCHEMBL340725 0.79 ALDH1A1 (0.39)
SCHEMBL2700644 0.75 PTPN1 (0.32)
SCHEMBL1453524 0.74 ACHE (0.41) CYP1A2CYP2D6CYP2C19SMN1; SMN2
SCHEMBL5953196 0.74 KMT2A (0.41)
SCHEMBL8657369 0.74 GRIN2D (0.38) CYP1A2CYP2D6CYP2C19GRIN2DGRIN3B
SCHEMBL8845870 0.74 PPARA (0.44) SMN1; SMN2

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
EP-1871749-A1 1H-QUINAZ0LINE-2,4-DIONES AND THEIR USE AS AMPA-RECEPTOR LIGANDS Novartis AG (US) 2008-01-02 EP disclosed
WO-2006108591-A1 1H-QUINAZ0LINE-2,4-DIONES AND THEIR USE AS AMPA-RECEPTOR LIGANDS NOVARTIS AG (CH) 2006-10-19 WO disclosed