SCHEMBL31404894

SCHEMBL31404894

COC(=O)c1ccc(OC)cc1NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC25A1 P53007 1/20 0.57
▸ SLC10A2 Q12908 1/20 0.53
▸ SLC10A1 Q14973 1/20 0.53
▸ SLC10A6 Q3KNW5 1/20 0.53
▸ DNMT1 P26358 1/20 0.52
▸ DNMT3A Q9Y6K1 1/20 0.52
▸ VCAM1 P19320 2/20 0.51
▸ ALDH1A1 P00352 4/20 0.51
▸ PKM P14618 2/20 0.51
▸ LMNA P02545 4/20 0.49
▸ MAPT P10636 3/20 0.49
▸ MAPK1 P28482 2/20 0.49
▸ RAF1 P04049 1/20 0.49
▸ HPGD P15428 1/20 0.49
▸ GFER P55789 1/20 0.49
▸ PAX8 Q06710 1/20 0.49
▸ BCL2 P10415 1/20 0.49
▸ MEN1 O00255 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL31404882 0.87 SLC25A1 (0.57) SLC25A1SLC10A2SLC10A1SLC10A6DNMT1
SCHEMBL31404883 0.86 SLC25A1 (0.43) SLC25A1SLC10A2SLC10A1SLC10A6DNMT1
SCHEMBL31404892 0.86 SLC25A1 (0.58) SLC25A1SLC10A2SLC10A1SLC10A6DNMT1
SCHEMBL27920996 0.83 DNMT1 (0.69) SLC25A1SLC10A2SLC10A1SLC10A6DNMT1
SCHEMBL17843843 0.82 DNMT1 (0.56) SLC25A1SLC10A2SLC10A1SLC10A6DNMT1
SCHEMBL31404884 0.82 SLC25A1 (0.61) SLC25A1SLC10A2SLC10A1SLC10A6DNMT1
SCHEMBL5597819 0.81 SLC25A1 (0.60) SLC25A1SLC10A2SLC10A1SLC10A6DNMT1
SCHEMBL6677229 0.79 VCAM1 (0.60) DNMT1DNMT3AVCAM1ALDH1A1PKM
SCHEMBL31404893 0.79 SLC25A1 (0.52) SLC25A1SLC10A2SLC10A1SLC10A6DNMT1
SCHEMBL22451555 0.78 LMNA (0.62) ALDH1A1LMNAMAPTMAPK1HPGD

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-2025045173-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF USE THEREOF THE CHINESE UNIVERSITY OF HONG KONG (CN) 2025-03-06 — — WO disclosed
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