SCHEMBL11216005

SCHEMBL11216005

[NH]C(=O)COc1ccc(CN)cc1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOB P27338 9/20 0.46
KEAP1 Q14145 1/20 0.44
NFE2L2 Q16236 1/20 0.44
ST14 Q9Y5Y6 3/20 0.44
LOXL2 Q9Y4K0 1/20 0.43
PARP10 Q53GL7 1/20 0.42
AOC3 Q16853 1/20 0.41

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
SCHEMBL6856290 0.82 MEN1 (0.51) PARP10
SCHEMBL11216007 0.82 MEN1 (0.49) MAOBKEAP1NFE2L2ST14PARP10
SCHEMBL1249954 0.82 ALOX15 (0.61) MAOB
Hydrochloric Acid SCHEMBL3605426 0.81 ALOX15 (0.59) MAOB
SCHEMBL5491120 0.78 PTGS2 (0.54) MAOBKEAP1NFE2L2LOXL2
Acetic Acid SCHEMBL2851045 0.78 ALOX15 (0.55) MAOB
SCHEMBL10968825 0.78 LTA4H (0.45)
SCHEMBL11099688 0.77 PARP10 (0.61) MAOBPARP10AOC3
SCHEMBL507276 0.77 MAOB (0.45) MAOBKEAP1NFE2L2LOXL2
Hydrochloric Acid SCHEMBL6774140 0.77 MAOB (0.53) MAOBKEAP1NFE2L2LOXL2

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
US-4329454-A Cephalosporin compounds ELI LILLY AND COMPANY (US) 1982-05-11 US disclosed