SCHEMBL31716167

SCHEMBL31716167

COC(=O)c1ccc(C)c(NCc2ccc(F)cc2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC8 Q9BY41 4/20 0.54
▸ HDAC1 Q13547 1/20 0.53
▸ HDAC6 Q9UBN7 1/20 0.53
▸ ALDH1A1 P00352 2/20 0.50
▸ MEN1 O00255 3/20 0.49
▸ KMT2A Q03164 3/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ MAPK1 P28482 2/20 0.48
▸ CA1 P00915 3/20 0.48
▸ CA2 P00918 3/20 0.48
▸ CYP2C9 P11712 1/20 0.46
▸ CTNNB1 P35222 1/20 0.45
▸ TCF7L2 Q9NQB0 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ KCNQ3 O43525 1/20 0.45
▸ KCNQ2 O43526 1/20 0.45
▸ MAPT P10636 2/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ RAB9A P51151 1/20 0.44

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
SCHEMBL28549619 0.80 ALDH1A1 (0.52) HDAC8ALDH1A1MEN1KMT2AMAPT
SCHEMBL15761751 0.80 SMN1; SMN2 (0.60) MEN1KMT2ASMN1; SMN2MAPK1CA1
SCHEMBL15761760 0.80 MEN1 (0.55) HDAC8HDAC1HDAC6MEN1KMT2A
SCHEMBL29878904 0.80 SMN1; SMN2 (0.60) MEN1KMT2ASMN1; SMN2MAPK1CA1
SCHEMBL31716512 0.79 EPHX2 (0.50) HDAC8HDAC1HDAC6CYP2C9
SCHEMBL15761719 0.79 CA1 (0.75) ALDH1A1MEN1KMT2ASMN1; SMN2MAPK1
SCHEMBL11242935 0.79 CA1 (0.75) ALDH1A1MEN1KMT2ASMN1; SMN2MAPK1
SCHEMBL31715853 0.78 HDAC8 (0.54) HDAC8HDAC1HDAC6MEN1KMT2A
SCHEMBL15761734 0.77 CA1 (0.61) HDAC8HDAC1HDAC6ALDH1A1MEN1
SCHEMBL185028 0.76 MEN1 (0.61) MEN1KMT2ASMN1; SMN2MAPK1CA1

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-2025224512-A1 NOVEL COMPOUND AS 17-BETA-HYDROXYSTEROID DEHYDROGENASE 13 (HSD17B13) INHIBITOR AND PHARMACEUTICAL COMPOSITION COMPRISING SAME 삼진제약주식회사 2025-10-30 — — WO disclosed
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