SCHEMBL27512856

SCHEMBL27512856

Nc1cc(C2CCC2)ccc1C(=O)Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACMSD Q8TDX5 2/20 0.45
▸ HDAC1 Q13547 7/20 0.40
▸ HDAC2 Q92769 6/20 0.40
▸ HDAC3 O15379 1/20 0.40
▸ TBK1 Q9UHD2 5/20 0.38
▸ IKBKE Q14164 2/20 0.38
▸ KMO O15229 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ NFKB1 P19838 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ NFKB2 Q00653 1/20 0.37
▸ RELA Q04206 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ HDAC8 Q9BY41 2/20 0.37

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
SCHEMBL30280786 0.85 ACMSD (0.58) ACMSDHDAC1HDAC2HDAC3TBK1
SCHEMBL27545241 0.81 ACMSD (0.53) ACMSDHDAC1HDAC2HDAC3TBK1
SCHEMBL3985016 0.80 ACMSD (0.51) ACMSDHDAC1HDAC2HDAC3TBK1
SCHEMBL27718282 0.80 ACMSD (0.64) ACMSDHDAC1HDAC2TBK1IKBKE
SCHEMBL30280751 0.80 ALDH1A1 (0.55) ACMSDHDAC1HDAC2HDAC3KDM4E
SCHEMBL31422825 0.80 ACMSD (0.42) ACMSDHDAC1HDAC2HDAC3TBK1
SCHEMBL27636958 0.77 ACMSD (0.47) ACMSDHDAC1HDAC2HDAC3TBK1
SCHEMBL26800328 0.75 KDM4E (0.54) ACMSDHDAC1HDAC2KDM4EMEN1
SCHEMBL29653784 0.74 BACE1 (0.44) ACMSDHDAC1HDAC2HDAC3MEN1
SCHEMBL9108966 0.74 BACE1 (0.44) ACMSDHDAC1HDAC2HDAC3MEN1

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-1222163-A Photoactive compounds for use with narrow wavelength band ultraviolet (UV) curing systems NO 1 CHEMICAL CO (US) 1999-07-07 — — CN disclosed
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