P-Toluenesulfonamide

P-Toluenesulfonamide

SCHEMBL7862508

CSCCC(NC(=O)OC(C)(C)C)C(=O)O.Cc1ccc(S(N)(=O)=O)cc1

nearest known ligand 0.66

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA2 P00918 12/20 0.66
CA1 P00915 7/20 0.62
ALDH1A1 P00352 2/20 0.55
TSHR P16473 1/20 0.55
CA9 Q16790 2/20 0.51
CA4 P22748 1/20 0.51
CA7 P43166 1/20 0.51
PPARG P37231 1/20 0.49
PPARA Q07869 1/20 0.49
CTSS P25774 1/20 0.49
CTSK P43235 1/20 0.49
CASP1 P29466 1/20 0.48
CA12 O43570 1/20 0.44
KDM4E B2RXH2 1/20 0.44
HPGD P15428 1/20 0.44
MEN1 O00255 1/20 0.44
POLB P06746 1/20 0.44
KMT2A Q03164 1/20 0.44

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
P-Toluenesulfonamide SCHEMBL7862511 1.00 CA2 (0.66) CA2CA1ALDH1A1TSHRCA9
Methanesulfonamide SCHEMBL6777577 0.84 CTSS (0.60) CA2CA1ALDH1A1TSHRPPARG
Methanesulfonamide SCHEMBL6898028 0.84 CTSS (0.60) CA2CA1ALDH1A1TSHRPPARG
SCHEMBL7874195 0.82 CTSS (0.57) CA2CA1ALDH1A1TSHRCA9
SCHEMBL7874192 0.82 CTSS (0.57) CA2CA1ALDH1A1TSHRCA9
SCHEMBL352156 0.81 CTSS (0.68) CA2ALDH1A1TSHRPPARGPPARA
SCHEMBL478905 0.81 CTSS (0.68) CA2ALDH1A1TSHRPPARGPPARA
SCHEMBL1486229 0.81 CTSS (0.68) CA2ALDH1A1TSHRPPARGPPARA
SCHEMBL4395744 0.81 CTSS (0.68) CA2ALDH1A1TSHRPPARGPPARA
SCHEMBL7862513 0.80 CA2 (0.52) CA2ALDH1A1TSHRPPARGPPARA

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
US-6310095-B1 INHIBITING OR TREATING CANCER, TREATING INTIMAL HYPERPLASIA ASSOCIATED WITH RESTENOSIS AND ATHEROSCLEROSIS, INHIBITING POST-TRANSLATIONAL MODIFICATION OF ONCOGENIC RAS PROTEIN BY PROTEIN FARNESYLTRANSFERASE AND/OR GERANYLGERANYLTRANSFERASE UNIVERSITY OF PITTSBURGH 2001-10-30 US disclosed