SCHEMBL30995086

SCHEMBL30995086

C=CC(=O)Nc1ccc(COS(C)(=O)=O)cc1

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TGM2 P21980 19/20 0.59
▸ THRA P10827 1/20 0.52
▸ THRB P10828 1/20 0.52
▸ F13A1 P00488 11/20 0.49
▸ TGM1 P22735 11/20 0.49
▸ LMNA P02545 1/20 0.49
▸ TGM3 Q08188 1/20 0.49

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
SCHEMBL16242098 0.81 TGM2 (0.63) TGM2THRATHRBF13A1TGM1
SCHEMBL27632063 0.80 TGM2 (0.64) TGM2THRATHRBF13A1TGM1
SCHEMBL16242097 0.80 TGM2 (0.56) TGM2THRATHRBF13A1TGM1
SCHEMBL1132464 0.76 THRA (0.67) TGM2THRATHRBF13A1TGM1
SCHEMBL10012411 0.76 TGM2 (0.51) TGM2THRATHRBF13A1TGM1
SCHEMBL440756 0.76 TGM2 (0.63) TGM2THRATHRBF13A1TGM1
SCHEMBL3375330 0.75 CYP17A1 (0.53) —
SCHEMBL18314731 0.75 TGM2 (0.59) TGM2THRATHRBF13A1TGM1
SCHEMBL4952656 0.75 CA2 (0.58) LMNA
SCHEMBL439369 0.75 TGM2 (0.79) TGM2THRATHRBF13A1TGM1

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-2024156288-A1 DNMT1 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND THERAPEUTIC APPLICATIONS SHANGHAI KYGENT PHARMACEUTICAL CO., LTD (CN) 2024-08-02 — — WO disclosed
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