SCHEMBL25829513

SCHEMBL25829513

N#CSCC(=O)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.56
MAPT P10636 8/20 0.56
HTT P42858 1/20 0.56
TP53 P04637 2/20 0.56
THRB P10828 1/20 0.56
CES2 O00748 1/20 0.55
CES1 P23141 1/20 0.55
HPGD P15428 2/20 0.54
KDM4E B2RXH2 1/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
GAA P10253 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
TSHR P16473 2/20 0.53
KMO O15229 1/20 0.52

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
SCHEMBL4485061 0.82 GSK3B (0.56) ALDH1A1MAPTHTTCES1KDM4E
SCHEMBL4047641 0.81 CES2 (0.65) ALDH1A1MAPTHTTTP53CES2
SCHEMBL1986403 0.78 CES2 (0.70) ALDH1A1MAPTHTTTP53CES2
SCHEMBL30512072 0.77 CES2 (0.68) ALDH1A1MAPTHTTTP53CES2
SCHEMBL312393 0.77 CES2 (0.68) ALDH1A1MAPTHTTTP53CES2
SCHEMBL29145573 0.76 ALDH1A1 (0.59) ALDH1A1MAPTHTTTP53CES2
SCHEMBL3765830 0.76 MAPT (0.52) ALDH1A1MAPTHTTHPGDKDM4E
SCHEMBL3765733 0.76 MAPT (0.56) ALDH1A1MAPTHTTHPGDKDM4E
SCHEMBL2556398 0.76 CES2 (0.62) ALDH1A1MAPTHTTTP53CES2
SCHEMBL3760982 0.76 MAPT (0.52) ALDH1A1MAPTHTTCES2CES1

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
EP-4201928-A1 BENZENE SULFONAMIDE THIAZOLE COMPOUNDS AND THEIR USE FOR THE TREATMENT OF CANCERS Institut National de la Santé et de la Recherche Médicale (INSERM) (FR) 2023-06-28 EP disclosed