SCHEMBL12440293

SCHEMBL12440293

CN(C)c1sc(COc2ccc3c(c2)OCC(C=O)=C3)cc1-c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 4/20 0.37
MAOB P27338 9/20 0.37
MAOA P21397 6/20 0.37
S1PR4 O95977 3/20 0.33
S1PR1 P21453 3/20 0.33
S1PR3 Q99500 3/20 0.33
S1PR5 Q9H228 3/20 0.33
FFAR1 O14842 1/20 0.33
PPARD Q03181 1/20 0.33
CD274 Q9NZQ7 1/20 0.32
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
NFKB1 P19838 1/20 0.32
GRM5 P41594 1/20 0.32
RAB9A P51151 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL10088450 0.88 MAOB (0.39) ALOX5MAOBMAOAS1PR4S1PR1
SCHEMBL13350123 0.87 MAOB (0.39) ALOX5MAOBMAOAS1PR4S1PR1
SCHEMBL10088570 0.86 MAOB (0.38) ALOX5MAOBMAOAS1PR4S1PR1
SCHEMBL2330461 0.86 MAOB (0.39) ALOX5MAOBMAOAS1PR4S1PR1
SCHEMBL10088575 0.85 MAOB (0.37) ALOX5MAOBMAOAS1PR4S1PR1
SCHEMBL10088572 0.84 MAOB (0.36) ALOX5MAOBMAOAS1PR4S1PR1
SCHEMBL2323503 0.84 S1PR1 (0.49) ALOX5MAOBMAOAS1PR4S1PR1
SCHEMBL2325179 0.83 MAOB (0.37) ALOX5MAOBMAOAS1PR4S1PR1
SCHEMBL10088400 0.83 MAOB (0.39) ALOX5MAOBMAOAS1PR4S1PR1
SCHEMBL10088637 0.80 MAOB (0.39) ALOX5MAOBMAOAFFAR1CD274

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-2354134-A1 2H-CHROMENE COMPOUND AND DERIVATIVE THEREOF Astellas Pharma Inc. (JP) 2011-08-10 EP disclosed