SCHEMBL2948058

SCHEMBL2948058

Cc1cc(Br)ccc1S(=O)(=O)NCCc1c[nH]c2ccccc12

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.60
MGAM O43451 1/20 0.58
RAD51 Q06609 1/20 0.57
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
ALDH1A1 P00352 1/20 0.52
MAPT P10636 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
SCHEMBL2944179 0.89 CYP19A1 (0.60) CYP19A1MGAMRAD51MEN1KMT2A
SCHEMBL2944188 0.84 MEN1 (0.69) CYP19A1MGAMRAD51MEN1KMT2A
SCHEMBL2949600 0.82 NR3C1 (0.67) CYP19A1MGAMRAD51MEN1KMT2A
SCHEMBL2952654 0.82 CYP19A1 (0.62) CYP19A1MGAMMEN1KMT2AMAPT
SCHEMBL2948668 0.81 CYP19A1 (0.81) CYP19A1RAD51MEN1KMT2A
SCHEMBL2949796 0.81 CYP19A1 (0.68) CYP19A1MGAMRAD51MEN1KMT2A
SCHEMBL2953659 0.81 CYP19A1 (0.75) CYP19A1MGAMRAD51MEN1KMT2A
SCHEMBL2951061 0.80 MGAM (0.70) CYP19A1MGAMRAD51MEN1KMT2A
SCHEMBL2942091 0.80 MGAM (0.77) CYP19A1MGAMMEN1KMT2A
SCHEMBL2943609 0.79 CYP19A1 (0.65) CYP19A1MGAMMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7754755-B2 e.g. N-[2-(1H-Indol-3-yl)-ethyl]-2-methyl-5-fluoro-benzenesulfonamide; N-[3-(4-Butyl-phenoxy)-propyl]-4-pentyl-benzenesulfonamide; useful for treating inflammatory disorder, atherosclerosis, diabetes, vascular restenosis, hypertension, asthma, rheumatoid arthritis, osteoarthritis, cancer BRISTOL-MYERS SQUIBB COMPANY (US) 2010-07-13 US claimed
US-7754755-B2 e.g. N-[2-(1H-Indol-3-yl)-ethyl]-2-methyl-5-fluoro-benzenesulfonamide; N-[3-(4-Butyl-phenoxy)-propyl]-4-pentyl-benzenesulfonamide; useful for treating inflammatory disorder, atherosclerosis, diabetes, vascular restenosis, hypertension, asthma, rheumatoid arthritis, osteoarthritis, cancer BRISTOL-MYERS SQUIBB COMPANY (US) 2010-07-13 US disclosed
US-7754755-B2 e.g. N-[2-(1H-Indol-3-yl)-ethyl]-2-methyl-5-fluoro-benzenesulfonamide; N-[3-(4-Butyl-phenoxy)-propyl]-4-pentyl-benzenesulfonamide; useful for treating inflammatory disorder, atherosclerosis, diabetes, vascular restenosis, hypertension, asthma, rheumatoid arthritis, osteoarthritis, cancer BRISTOL-MYERS SQUIBB COMPANY (US) 2010-07-13 US disclosed