SCHEMBL25379946

SCHEMBL25379946

CN[S+]([O-])c1ccc(NC(C)=O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.53
▸ HTT P42858 1/20 0.53
▸ L3MBTL1 Q9Y468 1/20 0.53
▸ KMT2A Q03164 6/20 0.52
▸ MEN1 O00255 4/20 0.52
▸ CA1 P00915 4/20 0.52
▸ CA2 P00918 4/20 0.52
▸ CA12 O43570 3/20 0.52
▸ CA9 Q16790 3/20 0.52
▸ ALDH1A1 P00352 2/20 0.52
▸ TDP1 Q9NUW8 2/20 0.52
▸ MAPT P10636 2/20 0.52
▸ TSHR P16473 2/20 0.52
▸ BRD4 O60885 1/20 0.52
▸ NR1I2 O75469 1/20 0.52
▸ MB P02144 1/20 0.52
▸ CYP1A1 P04798 1/20 0.52
▸ CA3 P07451 1/20 0.52
▸ CYP3A4 P08684 1/20 0.52
▸ RARG P13631 1/20 0.52

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
SCHEMBL21909284 0.80 SMN1; SMN2 (0.52) SMN1; SMN2HTTL3MBTL1KMT2AMEN1
SCHEMBL6636363 0.79 SMN1; SMN2 (0.55) SMN1; SMN2HTTL3MBTL1KMT2AMEN1
SCHEMBL861674 0.77 SMN1; SMN2 (0.84) SMN1; SMN2HTTL3MBTL1KMT2AMEN1
SCHEMBL10922931 0.76 NAPRT (0.62) SMN1; SMN2HTTL3MBTL1KMT2AMEN1
SCHEMBL14468049 0.76 SMN1; SMN2 (0.52) SMN1; SMN2HTTL3MBTL1KMT2AMEN1
SCHEMBL18793009 0.76 SMN1; SMN2 (0.52) SMN1; SMN2HTTL3MBTL1KMT2AMEN1
SCHEMBL9231409 0.76 SMN1; SMN2 (0.47) SMN1; SMN2HTTL3MBTL1KMT2AMEN1
SCHEMBL10927228 0.75 MAPT (0.62) SMN1; SMN2HTTL3MBTL1KMT2AMEN1
SCHEMBL10919710 0.75 IDO1 (0.55) SMN1; SMN2HTTL3MBTL1KMT2AMEN1
SCHEMBL3818227 0.75 CA1 (0.50) SMN1; SMN2HTTL3MBTL1KMT2AMEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4486453-A1 BENZAMIDE COMPOUNDS FOR TREATMENT OF BACTERIAL INFECTIONS F. Hoffmann-La Roche AG (CH) 2025-01-08 — — EP disclosed
WO-2023166103-A1 BENZAMIDE COMPOUNDS FOR TREATMENT OF BACTERIAL INFECTIONS F. HOFFMANN-LA ROCHE AG (CH) 2023-09-07 — — WO disclosed
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