SCHEMBL9524237

SCHEMBL9524237

O=C=NS(=O)(=O)c1ccccc1C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 3/20 0.60
PRSS1 P07477 3/20 0.60
PRSS2 P07478 3/20 0.60
PRSS3 P35030 3/20 0.60
CA1 P00915 2/20 0.51
CA2 P00918 2/20 0.51
MMP1 P03956 1/20 0.51
MMP2 P08253 1/20 0.51
MMP9 P14780 1/20 0.51
MMP8 P22894 1/20 0.51
MMP13 P45452 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.49
TSHR P16473 1/20 0.49
CA12 O43570 7/20 0.45
CA9 Q16790 7/20 0.45
FABP4 P15090 2/20 0.45
FABP3 P05413 1/20 0.45
FABP5 Q01469 1/20 0.45
ALDH1A1 P00352 3/20 0.45
ALOX15 P16050 2/20 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
SCHEMBL3765284 0.83 F2 (0.43) F2PRSS1PRSS2PRSS3CA1
SCHEMBL6677573 0.80 GAA (0.36) F2PRSS1PRSS2PRSS3CA1
SCHEMBL6228820 0.80 CA1 (0.59) F2PRSS1PRSS2PRSS3CA1
SCHEMBL10754112 0.79 F2 (0.38) F2PRSS1PRSS2PRSS3CA1
SCHEMBL11379978 0.78 CDC25B (0.44) F2PRSS1PRSS2PRSS3SMN1; SMN2
SCHEMBL10438854 0.77 SMN1; SMN2 (0.47) F2PRSS1PRSS2PRSS3CA1
SCHEMBL30806173 0.77 TSHR (0.56) CA1CA2SMN1; SMN2TSHRCA9
SCHEMBL6226409 0.77 NPC1 (0.47) F2PRSS1PRSS2PRSS3CA1
SCHEMBL9188413 0.77 TSHR (0.56) CA1CA2SMN1; SMN2TSHRCA9
SCHEMBL10885567 0.76 CDK2 (0.37) F2PRSS1PRSS2PRSS3CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0338424-B1 N-((6-trifluoromethylpyrimidin-2-yl)-aminocarbonyl)-2-carboalkoxy-benzenesulfonamides, process for their preparation and their use BASF AG (DE) 1993-11-24 EP claimed
EP-0046626-B1 SUBSTITUTED BENZENESULFONYL ISOCYANATES AND PREPARATION THEREOF E.I. DU PONT DE NEMOURS AND COMPANY (US) 1984-02-08 EP claimed
US-5100459-A Herbicides, plant growth regulators BASF AKTIENGESELLSCHAFT (DE) 1992-03-31 US disclosed
US-5032167-A Herbicides BASF (DE) 1991-07-16 US disclosed
EP-0030139-A2 Herbicidal ureas and isoureas, preparation and use thereof, and compositions containing them E.I. DU PONT DE NEMOURS AND COMPANY (US) 1981-06-10 EP disclosed