SCHEMBL31404885

SCHEMBL31404885

COC(=O)c1cc(C)ccc1NS(=O)(=O)c1ccc(Sc2ccc(Cl)c(Cl)c2)c([N+](=O)[O-])c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC10A2 Q12908 1/20 0.47
▸ SLC10A1 Q14973 1/20 0.47
▸ SLC10A6 Q3KNW5 1/20 0.47
▸ SLC25A1 P53007 1/20 0.46
▸ ALDH1A1 P00352 5/20 0.46
▸ PKM P14618 1/20 0.46
▸ METAP2 P50579 2/20 0.43
▸ CCR2 P41597 2/20 0.43
▸ MEN1 O00255 4/20 0.42
▸ KMT2A Q03164 4/20 0.42
▸ MAPT P10636 4/20 0.42
▸ TDP1 Q9NUW8 3/20 0.42
▸ LMNA P02545 3/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ DNMT1 P26358 2/20 0.42
▸ DNMT3A Q9Y6K1 1/20 0.42
▸ CMA1 P23946 1/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ HSP90AA1 P07900 1/20 0.40
▸ GAA P10253 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
SCHEMBL31404897 0.91 SLC25A1 (0.55) SLC10A2SLC10A1SLC10A6SLC25A1ALDH1A1
SCHEMBL31404891 0.90 SLC10A2 (0.47) SLC10A2SLC10A1SLC10A6SLC25A1ALDH1A1
SCHEMBL31404872 0.88 ALDH1A1 (0.46) SLC10A2SLC10A1SLC10A6SLC25A1ALDH1A1
SCHEMBL31404884 0.86 SLC25A1 (0.61) SLC10A2SLC10A1SLC10A6SLC25A1ALDH1A1
SCHEMBL31404883 0.85 SLC25A1 (0.43) SLC10A2SLC10A1SLC10A6SLC25A1ALDH1A1
SCHEMBL31404874 0.85 SLC25A1 (0.43) SLC10A2SLC10A1SLC10A6SLC25A1ALDH1A1
SCHEMBL31404880 0.81 SLC25A1 (0.72) SLC10A2SLC10A1SLC10A6SLC25A1ALDH1A1
SCHEMBL31404879 0.81 ALDH1A1 (0.56) SLC10A2SLC10A1SLC10A6SLC25A1ALDH1A1
SCHEMBL31404877 0.80 SLC25A1 (0.55) SLC10A2SLC10A1SLC10A6SLC25A1METAP2
SCHEMBL31404893 0.80 SLC25A1 (0.52) SLC10A2SLC10A1SLC10A6SLC25A1ALDH1A1

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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