SCHEMBL31404872

SCHEMBL31404872

COC(=O)c1cc(OC)c(OC)cc1NS(=O)(=O)c1ccc(Sc2ccc(Cl)c(Cl)c2)c([N+](=O)[O-])c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.46
▸ LMNA P02545 3/20 0.46
▸ GAA P10253 2/20 0.46
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ KDM4E B2RXH2 3/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ SLC25A1 P53007 1/20 0.44
▸ PKM P14618 1/20 0.43
▸ SLC10A2 Q12908 1/20 0.43
▸ SLC10A1 Q14973 1/20 0.43
▸ SLC10A6 Q3KNW5 1/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ CCR2 P41597 2/20 0.41
▸ MAPK1 P28482 2/20 0.40
▸ DNMT1 P26358 1/20 0.40
▸ DNMT3A Q9Y6K1 1/20 0.40
▸ RCE1 Q9Y256 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39

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
SCHEMBL31404879 0.93 ALDH1A1 (0.56) ALDH1A1L3MBTL1KDM4ESLC25A1SLC10A2
SCHEMBL31404883 0.89 SLC25A1 (0.43) ALDH1A1LMNAGAAL3MBTL1KDM4E
SCHEMBL31404885 0.88 SLC10A2 (0.47) ALDH1A1LMNAGAAL3MBTL1MEN1
SCHEMBL31404874 0.87 SLC25A1 (0.43) ALDH1A1LMNAGAAL3MBTL1KDM4E
SCHEMBL31404891 0.87 SLC10A2 (0.47) ALDH1A1LMNAGAAL3MBTL1MEN1
SCHEMBL31404892 0.86 SLC25A1 (0.58) ALDH1A1LMNAGAAL3MBTL1KDM4E
SCHEMBL31404893 0.83 SLC25A1 (0.52) ALDH1A1LMNAGAAL3MBTL1KDM4E
SCHEMBL31404895 0.80 SLC25A1 (0.57) L3MBTL1SLC25A1SLC10A2SLC10A1SLC10A6
SCHEMBL31404880 0.79 SLC25A1 (0.72) ALDH1A1LMNAGAAL3MBTL1KDM4E
SCHEMBL31404897 0.79 SLC25A1 (0.55) ALDH1A1LMNAGAAL3MBTL1MEN1

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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