SCHEMBL11067005

SCHEMBL11067005

O=C=NS(=O)(=O)c1ccccc1CC(=O)O

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 9/20 0.51
MMP12 P39900 8/20 0.51
MMP13 P45452 8/20 0.51
MMP14 P50281 8/20 0.51
MMP9 P14780 7/20 0.51
MMP1 P03956 6/20 0.51
MMP3 P08254 6/20 0.51
MMP8 P22894 5/20 0.51
MMP16 P51512 5/20 0.51
AKR1B1 P15121 2/20 0.46
TDP1 Q9NUW8 1/20 0.41
ALB P02768 1/20 0.40
BCAT2 O15382 1/20 0.37
CXCL8 P10145 4/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36

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
SCHEMBL11044000 0.82 MMP2 (0.40) MMP2MMP12MMP13MMP14MMP9
SCHEMBL11043794 0.80 PKM (0.43) MMP2MMP12MMP13MMP14MMP8
SCHEMBL8549823 0.78 GABRA1 (0.32)
SCHEMBL10646473 0.78 GABRA1 (0.35)
SCHEMBL6677573 0.76 GAA (0.36)
SCHEMBL1508334 0.75 MMP2 (0.60) MMP2MMP12MMP13MMP14MMP9
SCHEMBL10690933 0.75 GABRA1 (0.30)
SCHEMBL10694395 0.75 TDP1 (0.31) TDP1
SCHEMBL9524237 0.75 F2 (0.60) MMP2MMP13MMP9MMP1MMP8
SCHEMBL11049036 0.74 CTSB (0.34) MMP2MMP12MMP13MMP14MMP9

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
US-4485053-A Process for the production of arylsulfonyl isocyanates STAUFFER CHEMICAL COMPANY (US) 1984-11-27 US disclosed
EP-0044209-A1 Herbicidal sulfonamides E.I. DU PONT DE NEMOURS AND COMPANY (US) 1982-01-20 EP disclosed