SCHEMBL8106887

SCHEMBL8106887

NC(=O)c1cc(=O)c2cccc(NC(=O)CCCc3ccccc3)c2o1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 12/20 0.64
CYSLTR2 Q9NS75 1/20 0.48
CYSLTR1 Q9Y271 1/20 0.48
GPR55 Q9Y2T6 1/20 0.48
NPC1 O15118 3/20 0.47
RAB9A P51151 2/20 0.47
MAOB P27338 1/20 0.47
ADORA2A P29274 1/20 0.47
ADORA1 P30542 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
HDAC1 Q13547 1/20 0.46
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
SCHEMBL8106090 0.97 GPR35 (0.62) GPR35CYSLTR2CYSLTR1GPR55NPC1
SCHEMBL7897848 0.87 GPR35 (0.59) GPR35CYSLTR2CYSLTR1GPR55ADORA1
SCHEMBL7896347 0.87 GPR35 (0.59) GPR35CYSLTR2CYSLTR1GPR55ADORA1
SCHEMBL8122225 0.87 GPR35 (0.62) GPR35CYSLTR2CYSLTR1GPR55NPC1
SCHEMBL7897075 0.86 GPR35 (0.62) GPR35CYSLTR2CYSLTR1GPR55NPC1
SCHEMBL8107932 0.84 GPR35 (0.59) GPR35CYSLTR2CYSLTR1NPC1RAB9A
SCHEMBL8109312 0.84 GPR35 (0.61) GPR35CYSLTR2CYSLTR1GPR55ADORA1
SCHEMBL6956919 0.83 GPR35 (0.57) GPR35CYSLTR2CYSLTR1GPR55ADORA1
SCHEMBL6951132 0.83 GPR35 (0.57) GPR35CYSLTR2CYSLTR1GPR55ADORA1
SCHEMBL6958010 0.82 GPR35 (0.60) GPR35CYSLTR2CYSLTR1GPR55NPC1

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
EP-0634409-B1 Process of producing 2-cyano-4-oxo-4H-benzopyran compounds SUMITOMO CHEMICAL CO (JP) 2000-04-26 EP disclosed
US-5659051-A Process of producing 2-cyano-4-oxo-4H-benzopyran compounds SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1997-08-19 US disclosed
EP-0634409-A1 Process of producing 2-cyano-4-oxo-4H-benzopyran compounds SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1995-01-18 EP disclosed