SCHEMBL31423294

SCHEMBL31423294

O=C(O)c1cc2ccc(C3CCOCC3)cc2[nH]c1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TBK1 Q9UHD2 3/20 0.45
▸ IKBKE Q14164 2/20 0.45
▸ PRKAB2 O43741 4/20 0.45
▸ PRKAG1 P54619 4/20 0.45
▸ PRKAA2 P54646 4/20 0.45
▸ PRKAA1 Q13131 4/20 0.45
▸ PRKAG3 Q9UGI9 4/20 0.45
▸ PRKAG2 Q9UGJ0 4/20 0.45
▸ PRKAB1 Q9Y478 4/20 0.45
▸ SERPINE1 P05121 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ ACMSD Q8TDX5 2/20 0.40
▸ MAOB P27338 1/20 0.39
▸ KDM4C Q9H3R0 2/20 0.38
▸ MMP9 P14780 1/20 0.37
▸ KDM4A O75164 1/20 0.37
▸ SMYD3 Q9H7B4 1/20 0.36

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
SCHEMBL31273139 0.91 KDM4E (0.46) TBK1IKBKEKDM4EALDH1A1POLB
SCHEMBL31423285 0.88 ACMSD (0.52) TBK1IKBKEKDM4EALDH1A1POLB
SCHEMBL31273616 0.88 ACMSD (0.49) TBK1IKBKEKDM4EALDH1A1POLB
SCHEMBL31423183 0.87 ACMSD (0.54) TBK1IKBKESERPINE1KDM4EALDH1A1
SCHEMBL31423110 0.85 KDM4E (0.40) TBK1IKBKEPRKAB2PRKAG1PRKAA2
SCHEMBL31229604 0.83 MAOB (0.46) TBK1KDM4EALDH1A1POLBGAA
SCHEMBL31423104 0.75 KDM4E (0.42) KDM4EALDH1A1POLBGAAMAOB
SCHEMBL27096449 0.75 KDM4E (0.44) KDM4EALDH1A1POLBGAAMMP9
SCHEMBL29479161 0.75 KDM4E (0.44) KDM4EALDH1A1POLBGAAMMP9
SCHEMBL25396475 0.73 MMP9 (0.43) POLBMMP9

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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