SCHEMBL8488153

SCHEMBL8488153

N[CH]S(=O)(=O)c1ccc(Br)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 8/20 0.56
CA9 Q16790 5/20 0.50
CA12 O43570 4/20 0.50
PLCG1 P19174 1/20 0.48
F2 P00734 3/20 0.45
PRSS1 P07477 3/20 0.45
PRSS2 P07478 3/20 0.45
PRSS3 P35030 3/20 0.45
CA1 P00915 6/20 0.45
MMP2 P08253 3/20 0.45
MMP1 P03956 1/20 0.45
MMP9 P14780 1/20 0.45
MMP8 P22894 1/20 0.45
MMP13 P45452 1/20 0.45
IDO1 P14902 1/20 0.41
CA14 Q9ULX7 1/20 0.39
CYP2A6 P11509 1/20 0.38
TLR9 Q9NR96 1/20 0.38
CA7 P43166 1/20 0.38
CA5A P35218 1/20 0.38

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
SCHEMBL15314697 0.78 CA2 (0.52) CA2CA9CA12PLCG1F2
SCHEMBL7150046 0.76 LMNA (0.59) CA2CA9CA12PLCG1F2
SCHEMBL758697 0.76 CA2 (0.50) CA2CA9CA12PLCG1F2
SCHEMBL27338409 0.76 TLR9 (0.67) CA2CA9CA12F2PRSS1
SCHEMBL29017279 0.76 CA2 (0.50) CA2CA9CA12PLCG1F2
SCHEMBL11273158 0.75 TLR9 (0.58) CA2CA9CA12CA1MMP2
SCHEMBL27909407 0.74 ATM (0.41) CA2CA9CA1MMP2CA5A
SCHEMBL25428935 0.73 TLR9 (0.50) CA2CA9CA12PLCG1F2
SCHEMBL19518780 0.73 TLR9 (0.50) CA2CA9CA12PLCG1F2
SCHEMBL1460514 0.72 CA2 (0.56) CA2CA9CA12PLCG1F2

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
CN-102970867-A Aryl and heteroaryl sulfonamides as active agents against abiotic plant stress BAYER IP GMBH 2013-03-13 CN claimed
CN-102970867-A Aryl and heteroaryl sulfonamides as active agents against abiotic plant stress BAYER IP GMBH 2013-03-13 CN disclosed
US-5910482-A EFFECTIVE TREATING PREGNANCY DISORDER AND PREMATURE LABOR IN A PREGNANT FEMALE MAMMAL BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1999-06-08 US disclosed