SCHEMBL4594513

SCHEMBL4594513

CC(C)c1nnc(NS(=O)(=O)c2ccc(CN)cc2)s1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.67
HSD17B10 Q99714 1/20 0.67
AKT1 P31749 5/20 0.49
LMNA P02545 1/20 0.49
GAB1 Q13480 1/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
KMT2A Q03164 1/20 0.46
GAA P10253 1/20 0.46
ATM Q13315 1/20 0.45
CA12 O43570 1/20 0.45
CA3 P07451 1/20 0.45
CA6 P23280 1/20 0.45
CA5A P35218 1/20 0.45
CA9 Q16790 1/20 0.45
CA14 Q9ULX7 1/20 0.45
CA5B Q9Y2D0 1/20 0.45

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
Hydrochloric Acid SCHEMBL3776916 0.99 ALDH1A1 (0.65) ALDH1A1HSD17B10AKT1LMNAGAB1
SCHEMBL3788763 0.90 ALDH1A1 (0.64) ALDH1A1HSD17B10AKT1LMNAGAB1
Hydrochloric Acid SCHEMBL3776921 0.89 ALDH1A1 (0.62) ALDH1A1HSD17B10AKT1LMNAGAB1
SCHEMBL3788760 0.85 ALDH1A1 (0.61) ALDH1A1HSD17B10AKT1LMNAGAB1
Glyprothiazol SCHEMBL1814714 0.85 ALDH1A1 (0.71) ALDH1A1HSD17B10AKT1LMNACA1
SCHEMBL5398574 0.83 ALDH1A1 (0.73) ALDH1A1HSD17B10LMNACA1CA2
SCHEMBL5404610 0.82 ALDH1A1 (0.71) ALDH1A1HSD17B10LMNACA1KMT2A
SCHEMBL5401314 0.82 ALDH1A1 (0.71) ALDH1A1HSD17B10LMNACA1CA2
SCHEMBL5388827 0.82 ALDH1A1 (0.71) ALDH1A1HSD17B10AKT1LMNACA1
SCHEMBL5395237 0.80 ALDH1A1 (0.68) ALDH1A1HSD17B10AKT1LMNACA1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1937657-A1 N-[1 ,3,4]-THIADIAZOL-2-YL-BENZENE SULFONAMIDES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS Sanofi-Aventis (FR) 2008-07-02 EP disclosed
WO-2007039175-A1 N-[1 ,3,4]-THIADIAZOL-2-YL-BENZENE SULFONAMIDES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS (DE) 2007-04-12 WO disclosed