SCHEMBL9214372

SCHEMBL9214372

CCOC(=O)C(=O)N1CCCc2ccccc21

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.68
GAA P10253 2/20 0.64
NOTUM Q6P988 2/20 0.60
KMT2A Q03164 3/20 0.58
MAPT P10636 3/20 0.58
NPSR1 Q6W5P4 2/20 0.58
MAPK1 P28482 1/20 0.58
ALDH1A1 P00352 3/20 0.56
TSHR P16473 3/20 0.56
POLB P06746 1/20 0.56
HPGD P15428 1/20 0.56
MEN1 O00255 2/20 0.55

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
SCHEMBL8904589 0.92 ALDH1A1 (0.65) SMN1; SMN2GAANOTUMKMT2AMAPT
SCHEMBL5426108 0.87 NOTUM (0.65) SMN1; SMN2GAANOTUMKMT2AMAPT
SCHEMBL10682774 0.82 GAA (0.60) SMN1; SMN2GAANOTUMKMT2AMAPT
SCHEMBL10682781 0.82 GAA (0.60) SMN1; SMN2GAANOTUMKMT2AMAPT
SCHEMBL9208129 0.82 NOTUM (0.57) SMN1; SMN2GAANOTUMKMT2AALDH1A1
SCHEMBL9278163 0.81 SMN1; SMN2 (0.73) SMN1; SMN2NOTUMKMT2AMAPTNPSR1
SCHEMBL1395834 0.78 CHRM2 (0.58) SMN1; SMN2GAAKMT2AMAPTMAPK1
SCHEMBL29554766 0.78 NPC1 (0.71) SMN1; SMN2NOTUMKMT2AMAPTNPSR1
SCHEMBL2116912 0.78 NPC1 (0.71) SMN1; SMN2NOTUMKMT2AMAPTNPSR1
SCHEMBL29520673 0.78 NOTUM (0.69) SMN1; SMN2GAANOTUMKMT2ANPSR1

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
EP-0642508-A1 TRICYCLIC QUINOXALINEDIONES AS GLUTAMATE RECEPTOR ANTAGONISTS SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1995-03-15 EP disclosed