SCHEMBL31404893

SCHEMBL31404893

COc1ccc(C(=O)O)c(NS(=O)(=O)c2ccc(Sc3ccc(Cl)c(Cl)c3)c([N+](=O)[O-])c2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC25A1 P53007 1/20 0.52
▸ L3MBTL1 Q9Y468 4/20 0.47
▸ MAPT P10636 2/20 0.46
▸ ACLY P53396 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ MCL1 Q07820 1/20 0.46
▸ AKR1C3 P42330 4/20 0.44
▸ AKR1C2 P52895 4/20 0.44
▸ AKR1B10 O60218 1/20 0.44
▸ AKR1B1 P15121 1/20 0.44
▸ AKR1C4 P17516 1/20 0.44
▸ AKR1C1 Q04828 1/20 0.44
▸ FBP1 P09467 1/20 0.43
▸ SLC10A2 Q12908 1/20 0.42
▸ SLC10A1 Q14973 1/20 0.42
▸ SLC10A6 Q3KNW5 1/20 0.42
▸ DNMT1 P26358 2/20 0.42
▸ APAF1 O14727 1/20 0.42

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
SCHEMBL31404883 0.93 SLC25A1 (0.43) SLC25A1L3MBTL1MAPTACLYKDM4E
SCHEMBL31404879 0.89 ALDH1A1 (0.56) SLC25A1L3MBTL1MAPTACLYKDM4E
SCHEMBL31404895 0.88 SLC25A1 (0.57) SLC25A1L3MBTL1ACLYSLC10A2SLC10A1
SCHEMBL31404876 0.87 SLC25A1 (0.55) SLC25A1L3MBTL1ACLYSLC10A2SLC10A1
SCHEMBL31404886 0.87 SLC25A1 (0.55) SLC25A1L3MBTL1ACLYMCL1SLC10A2
SCHEMBL31404880 0.86 SLC25A1 (0.72) SLC25A1L3MBTL1MAPTACLYKDM4E
SCHEMBL31404889 0.84 ACLY (0.54) SLC25A1L3MBTL1ACLYGAAAKR1C3
SCHEMBL31404872 0.83 ALDH1A1 (0.46) SLC25A1L3MBTL1MAPTKDM4EGAA
SCHEMBL31404897 0.83 SLC25A1 (0.55) SLC25A1L3MBTL1MAPTACLYGAA
SCHEMBL31404874 0.83 SLC25A1 (0.43) SLC25A1L3MBTL1MAPTACLYKDM4E

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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