SCHEMBL31422988

SCHEMBL31422988

O=C(Oc1c(F)c(F)c(F)c(F)c1F)c1cc2ccc(C3CCCCC3)cc2[nH]c1=O

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ACMSD Q8TDX5 2/20 0.36
▸ POLB P06746 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ KDM4E B2RXH2 5/20 0.36
▸ HSD17B10 Q99714 3/20 0.36
▸ MMP9 P14780 2/20 0.36
▸ MAOB P27338 2/20 0.35
▸ MAOA P21397 1/20 0.35
▸ DAO P14920 2/20 0.35
▸ DDO Q99489 1/20 0.35
▸ ALDH1A1 P00352 3/20 0.34
▸ CNR2 P34972 2/20 0.34
▸ TP53 P04637 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ USP2 O75604 1/20 0.34
▸ STAT3 P40763 1/20 0.33

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
SCHEMBL31423302 0.99 MMP9 (0.36) ACMSDPOLBTHRBKDM4EHSD17B10
SCHEMBL31273321 0.97 MMP9 (0.38) ACMSDPOLBTHRBKDM4EHSD17B10
SCHEMBL31273371 0.94 DAO (0.37) POLBKDM4EHSD17B10MMP9DAO
SCHEMBL31422953 0.83 DAO (0.35) POLBKDM4EHSD17B10DAODDO
SCHEMBL31422768 0.82 MAOB (0.53) POLBKDM4EHSD17B10MAOBMAOA
SCHEMBL31273396 0.82 KDM4E (0.42) POLBKDM4EHSD17B10MMP9ALDH1A1
SCHEMBL31423089 0.81 MAOB (0.51) POLBKDM4EHSD17B10MAOBMAOA
SCHEMBL31423183 0.80 ACMSD (0.54) ACMSDPOLBKDM4EHSD17B10MMP9
SCHEMBL31273200 0.79 DAO (0.55) KDM4EHSD17B10DAODDOALDH1A1
SCHEMBL29479161 0.79 KDM4E (0.44) POLBKDM4EHSD17B10MMP9ALDH1A1

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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