SCHEMBL10653394

SCHEMBL10653394

COc1cccc2nc3c(c(N)c12)SCCC3

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 15/20 0.64
▸ DCPS Q96C86 1/20 0.46
▸ GRIN1 Q05586 10/20 0.42
▸ GRIN2A Q12879 10/20 0.42
▸ BCHE P06276 9/20 0.42
▸ KDM4E B2RXH2 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ GRIN2B Q13224 4/20 0.39

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
SCHEMBL10654771 0.83 ACHE (0.63) ACHEGRIN1GRIN2ABCHEKDM4E
SCHEMBL10651092 0.80 ACHE (0.62) ACHEGRIN1GRIN2ABCHE
SCHEMBL9039832 0.79 ACHE (1.00) ACHEGRIN1GRIN2ABCHEKDM4E
SCHEMBL10653196 0.75 ACHE (0.70) ACHEDCPSGRIN1GRIN2ABCHE
SCHEMBL28984974 0.75 ACHE (0.66) ACHEDCPSGRIN1GRIN2ABCHE
SCHEMBL9209834 0.75 ACHE (0.59) ACHEGRIN1GRIN2ABCHEKDM4E
SCHEMBL10653208 0.74 ACHE (0.58) ACHEGRIN1GRIN2ABCHEKDM4E
SCHEMBL9172013 0.73 ACHE (0.66) ACHEGRIN1GRIN2ABCHEKDM4E
SCHEMBL9208760 0.71 ACHE (0.57) ACHEGRIN1GRIN2ABCHE
SCHEMBL9736603 0.71 ACHE (0.62) ACHEGRIN1GRIN2ABCHEKDM4E

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-0268871-A1 Quinoline derivatives SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1988-06-01 — — EP disclosed
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