SCHEMBL27545241

SCHEMBL27545241

Nc1cc(C2CCCCC2)ccc1C(=O)c1ccc(C2CCCCC2)cc1N

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACMSD Q8TDX5 2/20 0.53
▸ KMO O15229 1/20 0.46
▸ BACE1 P56817 1/20 0.44
▸ HDAC1 Q13547 7/20 0.44
▸ HDAC2 Q92769 6/20 0.44
▸ KDM4E B2RXH2 2/20 0.43
▸ HTT P42858 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ TDP1 Q9NUW8 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ NFKB1 P19838 1/20 0.43
▸ NFKB2 Q00653 1/20 0.43
▸ RELA Q04206 1/20 0.43
▸ GLA P06280 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ HIF1A Q16665 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
SCHEMBL3985016 0.88 ACMSD (0.51) ACMSDKMOBACE1HDAC1HDAC2
SCHEMBL27718282 0.88 ACMSD (0.64) ACMSDKMOBACE1HDAC1HDAC2
SCHEMBL26800328 0.83 KDM4E (0.54) ACMSDHDAC1HDAC2KDM4EHTT
SCHEMBL30280786 0.83 ACMSD (0.58) ACMSDKMOHDAC1HDAC2KDM4E
SCHEMBL27512856 0.81 ACMSD (0.45) ACMSDKMOBACE1HDAC1HDAC2
SCHEMBL9629587 0.80 ACMSD (0.43) ACMSDKMOBACE1HDAC1HDAC2
SCHEMBL28283624 0.78 ACMSD (0.69) ACMSDKMOHDAC1HDAC2KDM4E
SCHEMBL30280751 0.78 ALDH1A1 (0.55) ACMSDHDAC1HDAC2KDM4EHTT
SCHEMBL31422825 0.78 ACMSD (0.42) ACMSDKMOBACE1HDAC1HDAC2
SCHEMBL3985023 0.77 BACE1 (0.51) ACMSDKMOBACE1HDAC1HDAC2

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-1145074-A Carbamoylmethylurea derivative SHIONOGI & CO (JP) 1997-03-12 — — CN disclosed
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