SCHEMBL31404886

SCHEMBL31404886

O=C(O)c1ccc(Br)cc1NS(=O)(=O)c1ccc(Sc2ccc(Cl)c(Cl)c2)c([N+](=O)[O-])c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC25A1 P53007 1/20 0.55
▸ ACLY P53396 1/20 0.48
▸ CCKBR P32239 1/20 0.47
▸ METAP2 P50579 2/20 0.44
▸ SLC10A2 Q12908 1/20 0.44
▸ SLC10A1 Q14973 1/20 0.44
▸ SLC10A6 Q3KNW5 1/20 0.44
▸ DNMT1 P26358 3/20 0.43
▸ CASP6 P55212 3/20 0.42
▸ APAF1 O14727 1/20 0.42
▸ KDM4A O75164 1/20 0.42
▸ DUSP3 P51452 1/20 0.42
▸ PTPN5 P54829 1/20 0.42
▸ PTPN11 Q06124 1/20 0.42
▸ KDM4C Q9H3R0 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ POLB P06746 1/20 0.41
▸ BCL2L1 Q07817 1/20 0.41
▸ DNMT3A Q9Y6K1 1/20 0.41
▸ MEN1 O00255 2/20 0.41

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
SCHEMBL31404895 0.91 SLC25A1 (0.57) SLC25A1ACLYSLC10A2SLC10A1SLC10A6
SCHEMBL31404876 0.89 SLC25A1 (0.55) SLC25A1ACLYSLC10A2SLC10A1SLC10A6
SCHEMBL31404880 0.88 SLC25A1 (0.72) SLC25A1ACLYSLC10A2SLC10A1SLC10A6
SCHEMBL31404889 0.87 ACLY (0.54) SLC25A1ACLYSLC10A2SLC10A1SLC10A6
SCHEMBL31404893 0.87 SLC25A1 (0.52) SLC25A1ACLYSLC10A2SLC10A1SLC10A6
SCHEMBL31404879 0.84 ALDH1A1 (0.56) SLC25A1ACLYSLC10A2SLC10A1SLC10A6
SCHEMBL31404877 0.84 SLC25A1 (0.55) SLC25A1ACLYMETAP2SLC10A2SLC10A1
SCHEMBL31404897 0.84 SLC25A1 (0.55) SLC25A1ACLYMETAP2SLC10A2SLC10A1
SCHEMBL31404874 0.80 SLC25A1 (0.43) SLC25A1ACLYSLC10A2SLC10A1SLC10A6
SCHEMBL31404883 0.80 SLC25A1 (0.43) SLC25A1ACLYSLC10A2SLC10A1SLC10A6

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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