SCHEMBL9732016

SCHEMBL9732016

Cc1ccccc1NC(=O)NCCc1c(C(=O)O)[nH]c2cc(Cl)cc(Cl)c12

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 6/20 0.60
GPR17 Q13304 2/20 0.55
FBP1 P09467 1/20 0.55
KMT2A Q03164 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.48
ITGB3 P05106 1/20 0.47
ITGAV P06756 1/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
POLB P06746 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
SCHEMBL9731831 0.86 GRIN1 (0.80) GRIN1GPR17FBP1KMT2ASMN1; SMN2
SCHEMBL9731281 0.83 GRIN1 (0.67) GRIN1GPR17FBP1KMT2AMAPT
SCHEMBL9739526 0.82 GRIN1 (0.77) GRIN1GPR17FBP1KMT2ASMN1; SMN2
SCHEMBL9731514 0.82 GRIN1 (0.68) GRIN1GPR17FBP1POLB
SCHEMBL9730824 0.79 GRIN1 (0.64) GRIN1GPR17FBP1KMT2ASMN1; SMN2
SCHEMBL9740348 0.79 GRIN1 (0.81) GRIN1GPR17FBP1
SCHEMBL9740602 0.76 GRIN1 (1.00) GRIN1GPR17FBP1KMT2AALDH1A1
SCHEMBL9731682 0.75 GRIN1 (0.54) GRIN1GPR17FBP1
SCHEMBL9731504 0.74 GRIN1 (0.53) GRIN1GPR17FBP1KMT2AMAPT
SCHEMBL8463078 0.72 GPR17 (1.00) GRIN1GPR17FBP1

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 3 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
US-5145845-A Substituted 2-carboxylindoles having pharmaceutical activity WARNER-LAMBERT CO. (US) 1992-09-08 US disclosed