SCHEMBL10587828

SCHEMBL10587828

CCCCCOCCCN1C(=O)CC(C)=C(C#N)C1=O

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.39
▸ MAPT P10636 4/20 0.35
▸ ALDH1A1 P00352 4/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ FAAH O00519 1/20 0.33
▸ MGLL Q99685 1/20 0.33
▸ THRB P10828 2/20 0.32
▸ GAA P10253 1/20 0.32
▸ LMNA P02545 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ RECQL P46063 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL10586024 0.96 KDM4E (0.39) KDM4EMAPTALDH1A1RXFP1L3MBTL1
SCHEMBL10586818 0.90 KDM4E (0.37) KDM4EMAPTALDH1A1L3MBTL1LMNA
SCHEMBL421735 0.89 KDM4E (0.40) KDM4EMAPTALDH1A1L3MBTL1FAAH
SCHEMBL3875987 0.88 KDM4E (0.44) KDM4EMAPTALDH1A1L3MBTL1FAAH
SCHEMBL10585560 0.81 KDM4E (0.32) KDM4E
SCHEMBL10587223 0.81 KDM4E (0.32) KDM4E
SCHEMBL10586933 0.81 KDM4E (0.32) KDM4ETHRB
SCHEMBL10584526 0.80 KDM4E (0.32) KDM4ETHRB
SCHEMBL10586059 0.80 KDM4E (0.32) KDM4ETHRB
SCHEMBL10584621 0.78 KDM4E (0.33) KDM4EL3MBTL1

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-0302401-A1 Pyridone dyes, process for their preparation and their use CASSELLA Aktiengesellschaft (DE) 1989-02-08 — — EP disclosed
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