SCHEMBL31412439

SCHEMBL31412439

Cc1nc(S(C)(=O)=O)ncc1Cn1cc(NC(=O)O)cn1.Cc1nc(S(C)(=O)=O)ncc1Cn1cc(NC(=O)OC(C)(C)C)cn1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 1/20 0.46
▸ HDAC8 Q9BY41 1/20 0.46
▸ NCOR2 Q9Y618 1/20 0.46
▸ SCD O00767 2/20 0.44
▸ ALDH1A1 P00352 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ AR P10275 2/20 0.39
▸ TAS2R8 Q9NYW2 10/20 0.37
▸ PTGDR2 Q9Y5Y4 1/20 0.36
▸ SCD5 Q86SK9 1/20 0.35
▸ KLKB1 P03952 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ RAB9A P51151 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
SCHEMBL30325997 0.97 HDAC3 (0.48) HDAC3HDAC8NCOR2SCDALDH1A1
SCHEMBL30326147 0.90 ALDH1A1 (0.45) ALDH1A1MAPTTAS2R8SMN1; SMN2HPGD
SCHEMBL30326080 0.81 HDAC3 (0.48) HDAC3HDAC8NCOR2SCDALDH1A1
SCHEMBL28988144 0.81 HDAC3 (0.48) HDAC3HDAC8NCOR2SCDALDH1A1
SCHEMBL30326108 0.73 HDAC3 (0.41) HDAC3HDAC8NCOR2SCDALDH1A1
SCHEMBL30389019 0.73 ALDH1A1 (0.45) ALDH1A1MAPTTAS2R8SMN1; SMN2HPGD
SCHEMBL28988108 0.71 ALDH1A1 (0.36) ALDH1A1MAPTKLKB1SMN1; SMN2
SCHEMBL31691482 0.71 SCD (0.50) HDAC3HDAC8NCOR2SCDAR
SCHEMBL1279054 0.70 TAS2R8 (0.65) TAS2R8
SCHEMBL29483796 0.70 HDAC3 (0.55) HDAC3HDAC8NCOR2SCDALDH1A1

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-115989224-B Plasma kallikrein inhibitors 默沙东有限责任公司 2025-02-25 — — CN disclosed
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