SCHEMBL31404889

SCHEMBL31404889

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACLY P53396 8/20 0.54
▸ KDM1A O60341 2/20 0.54
▸ SLC25A1 P53007 1/20 0.52
▸ FLT1 P17948 1/20 0.44
▸ FLT4 P35916 1/20 0.44
▸ KDR P35968 1/20 0.44
▸ AKR1B1 P15121 1/20 0.44
▸ AKR1C4 P17516 1/20 0.44
▸ AKR1C3 P42330 1/20 0.44
▸ AKR1C2 P52895 1/20 0.44
▸ AKR1C1 Q04828 1/20 0.44
▸ CCR2 P41597 2/20 0.44
▸ MEN1 O00255 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ CCR1 P32246 1/20 0.43
▸ SLC10A2 Q12908 1/20 0.42
▸ SLC10A1 Q14973 1/20 0.42
▸ SLC10A6 Q3KNW5 1/20 0.42
▸ EIF4E P06730 1/20 0.40

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
SCHEMBL31404876 0.89 SLC25A1 (0.55) ACLYSLC25A1CCR2MEN1KMT2A
SCHEMBL31404895 0.88 SLC25A1 (0.57) ACLYSLC25A1CCR2CCR1SLC10A2
SCHEMBL31404886 0.87 SLC25A1 (0.55) ACLYSLC25A1CCR2MEN1KMT2A
SCHEMBL31404880 0.86 SLC25A1 (0.72) ACLYSLC25A1CCR2MEN1GAA
SCHEMBL31404893 0.84 SLC25A1 (0.52) ACLYSLC25A1AKR1B1AKR1C4AKR1C3
SCHEMBL31404877 0.83 SLC25A1 (0.55) ACLYSLC25A1CCR2MEN1KMT2A
SCHEMBL31404879 0.82 ALDH1A1 (0.56) ACLYSLC25A1CCR2SLC10A2SLC10A1
SCHEMBL31404897 0.81 SLC25A1 (0.55) ACLYSLC25A1CCR2MEN1GAA
SCHEMBL31404874 0.79 SLC25A1 (0.43) ACLYSLC25A1CCR2MEN1GAA
SCHEMBL31404883 0.78 SLC25A1 (0.43) ACLYSLC25A1CCR2MEN1GAA

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
Send feedback