SCHEMBL31422825

SCHEMBL31422825

Nc1cc(C2CCC2)ccc1C(=O)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACMSD Q8TDX5 2/20 0.42
▸ HDAC1 Q13547 7/20 0.40
▸ HDAC2 Q92769 6/20 0.40
▸ HDAC3 O15379 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ HPGD P15428 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ IKBKE Q14164 2/20 0.36
▸ TBK1 Q9UHD2 2/20 0.36
▸ POLQ O75417 1/20 0.36
▸ KMO O15229 1/20 0.36
▸ PDK2 Q15119 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ NFKB1 P19838 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ NFKB2 Q00653 1/20 0.35

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 0.81 ACMSD (0.58) ACMSDHDAC1HDAC2HDAC3KDM4E
SCHEMBL27512856 0.80 ACMSD (0.45) ACMSDHDAC1HDAC2HDAC3KDM4E
SCHEMBL27545241 0.78 ACMSD (0.53) ACMSDHDAC1HDAC2HDAC3KDM4E
SCHEMBL27718282 0.76 ACMSD (0.64) ACMSDHDAC1HDAC2KDM4EALDH1A1
SCHEMBL3985016 0.76 ACMSD (0.51) ACMSDHDAC1HDAC2HDAC3KDM4E
SCHEMBL30280751 0.76 ALDH1A1 (0.55) ACMSDHDAC1HDAC2HDAC3KDM4E
SCHEMBL26800328 0.72 KDM4E (0.54) ACMSDHDAC1HDAC2KDM4EALDH1A1
SCHEMBL27636958 0.71 ACMSD (0.47) ACMSDHDAC1HDAC2HDAC3KDM4E
SCHEMBL29653784 0.70 BACE1 (0.44) ACMSDHDAC1HDAC2HDAC3ALDH1A1
SCHEMBL9108966 0.70 BACE1 (0.44) ACMSDHDAC1HDAC2HDAC3ALDH1A1

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
WO-2025085233-A1 NOVEL DERIVATIVES OF QUINOLINONES, AND COMPOSITIONS AND METHODS THEREOF ENSEM THERAPEUTICS, INC. (US) 2025-04-24 — — WO disclosed
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