SCHEMBL10653196

SCHEMBL10653196

COc1cccc2nc3c(c(N)c12)CSCC3

nearest known ligand 0.70

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 13/20 0.70
▸ DCPS Q96C86 1/20 0.47
▸ GRIN1 Q05586 9/20 0.46
▸ GRIN2A Q12879 9/20 0.46
▸ BCHE P06276 7/20 0.46
▸ TNKS O95271 1/20 0.42
▸ TNKS2 Q9H2K2 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ GRIN2B Q13224 2/20 0.40

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
SCHEMBL10654258 0.84 ACHE (0.68) ACHEGRIN1GRIN2ABCHEKDM4E
SCHEMBL9039832 0.82 ACHE (1.00) ACHEGRIN1GRIN2ABCHEKDM4E
SCHEMBL9207530 0.81 ACHE (0.66) ACHEGRIN1GRIN2ABCHE
SCHEMBL10653394 0.75 ACHE (0.64) ACHEDCPSGRIN1GRIN2ABCHE
SCHEMBL4502500 0.75 ACHE (0.62) ACHEGRIN1GRIN2ABCHEKDM4E
SCHEMBL10651788 0.73 ACHE (0.68) ACHEGRIN1GRIN2ABCHEKDM4E
SCHEMBL28984974 0.71 ACHE (0.66) ACHEDCPSGRIN1GRIN2ABCHE
SCHEMBL10654307 0.70 ACHE (0.66) ACHEGRIN1GRIN2ABCHEKDM4E
SCHEMBL10652480 0.70 ACHE (0.66) ACHEGRIN1GRIN2ABCHEKDM4E
SCHEMBL9583526 0.70 ACHE (1.00) ACHEDCPSGRIN1GRIN2ABCHE

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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