SCHEMBL9740348

SCHEMBL9740348

O=C(NCCc1c(C(=O)O)[nH]c2cc(Cl)cc(Cl)c12)NS(=O)(=O)c1ccccc1

nearest known ligand 0.81

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 5/20 0.81
FBP1 P09467 5/20 0.56
GPR17 Q13304 2/20 0.56
CXCR2 P25025 1/20 0.47
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46

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
SCHEMBL9432682 0.85 GRIN1 (0.71) GRIN1FBP1GPR17
SCHEMBL9433912 0.84 GRIN1 (0.68) GRIN1FBP1GPR17
SCHEMBL9731831 0.83 GRIN1 (0.80) GRIN1FBP1GPR17
SCHEMBL9731514 0.83 GRIN1 (0.68) GRIN1FBP1GPR17
SCHEMBL9731281 0.80 GRIN1 (0.67) GRIN1FBP1GPR17
SCHEMBL9732614 0.80 GRIN1 (0.69) GRIN1FBP1GPR17
SCHEMBL9732016 0.79 GRIN1 (0.60) GRIN1FBP1GPR17
SCHEMBL9739526 0.77 GRIN1 (0.77) GRIN1FBP1GPR17
SCHEMBL4342185 0.74 GRIN1 (0.66) GRIN1GPR17
SCHEMBL9709075 0.74 GPR17 (0.71) GRIN1GPR17

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-1992020649-A2 SUBSTITUTED 2-CARBOXYINDOLES HAVING PHARMACEUTICAL ACTIVITY WARNER-LAMBERT COMPANY (US) 1992-11-26 WO claimed
WO-1992020649-A2 SUBSTITUTED 2-CARBOXYINDOLES HAVING PHARMACEUTICAL ACTIVITY WARNER-LAMBERT COMPANY (US) 1992-11-26 WO disclosed