SCHEMBL25829360

SCHEMBL25829360

Nc1nc(-c2cccc(N[SH](=O)=O)c2)cs1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.59
MEN1 O00255 7/20 0.59
KMT2A Q03164 7/20 0.59
HPGD P15428 4/20 0.59
HTT P42858 4/20 0.59
LMNA P02545 2/20 0.59
MAPT P10636 8/20 0.55
RAB9A P51151 7/20 0.55
KDM4E B2RXH2 3/20 0.55
HK1 P19367 1/20 0.55
HKDC1 Q2TB90 1/20 0.55
FBP1 P09467 1/20 0.52
NPC1 O15118 5/20 0.49
SMN1; SMN2 Q16637 5/20 0.49
NFKB1 P19838 2/20 0.49
NFKB2 Q00653 2/20 0.49
RELA Q04206 2/20 0.49
AR P10275 1/20 0.49
GFER P55789 1/20 0.49
CYP3A4 P08684 1/20 0.49

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
SCHEMBL19196215 0.81 MAPT (0.58) ALDH1A1MEN1KMT2AHPGDHTT
SCHEMBL22822212 0.79 ALDH1A1 (0.65) ALDH1A1MEN1KMT2AHPGDHTT
SCHEMBL3140270 0.77 SMN1; SMN2 (0.65) ALDH1A1MEN1KMT2AHPGDHTT
SCHEMBL25735674 0.77 HTT (0.76) ALDH1A1MEN1KMT2AHPGDHTT
SCHEMBL7874987 0.74 ALDH1A1 (0.53) ALDH1A1MEN1KMT2AHPGDHTT
SCHEMBL28490658 0.74 MAPT (0.58) ALDH1A1MEN1KMT2AHPGDHTT
SCHEMBL4636395 0.74 TSHR (0.72) ALDH1A1MEN1KMT2AHPGDHTT
SCHEMBL1399840 0.73 ALDH1A1 (0.76) ALDH1A1MEN1KMT2AHPGDHTT
SCHEMBL7121746 0.71 HDAC3 (0.63) ALDH1A1MEN1KMT2AHPGDHTT
Chlorobenzene SCHEMBL19118520 0.71 ALDH1A1 (0.69) ALDH1A1MEN1KMT2AHPGDHTT

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