SCHEMBL27508643

SCHEMBL27508643

CN(C)C(CCC(N)=O)c1cc2ccccc2[nH]1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 1/20 0.53
▸ KDM4E B2RXH2 7/20 0.41
▸ TSHR P16473 4/20 0.41
▸ ALDH1A1 P00352 3/20 0.40
▸ GAA P10253 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ DRD2 P14416 1/20 0.40
▸ HTR2C P28335 1/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ FLT3 P36888 1/20 0.39
▸ AOC3 Q16853 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ DAO P14920 2/20 0.38
▸ MAPT P10636 1/20 0.38
▸ SRD5A2 P31213 1/20 0.38
▸ BRD4 O60885 1/20 0.38

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
SCHEMBL7826463 0.73 ALOX5 (0.59) ALOX5KDM4ETSHRALDH1A1GAA
SCHEMBL5851328 0.73 ALOX5 (0.51) ALOX5KDM4EALDH1A1GAAMAPK1
SCHEMBL7321932 0.72 ALOX5 (0.57) ALOX5KDM4ETSHRALDH1A1GAA
SCHEMBL417540 0.71 ALOX5 (0.64) ALOX5KDM4ETSHRALDH1A1GAA
SCHEMBL27453349 0.71 KDM4E (0.39) KDM4EALDH1A1HSD17B10HPGD
SCHEMBL5476505 0.70 KDM4E (0.45) ALOX5KDM4ETSHRALDH1A1GAA
SCHEMBL9602544 0.70 ALOX5 (1.00) ALOX5KDM4EGAAFLT3LMNA
SCHEMBL10759696 0.70 ALOX5 (0.51) ALOX5KDM4ETSHRALDH1A1GAA
SCHEMBL13753636 0.69 DRD2 (0.62) KDM4EALDH1A1GAAMAPK1DRD2
SCHEMBL22529424 0.69 ALOX5 (0.60) ALOX5KDM4EALDH1A1FLT3AOC3

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
CN-1144529-A Heterocyclic compounds, their preparation and use NOVO NORDISK AS (DK) 1997-03-05 — — CN claimed
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