SCHEMBL4697806

SCHEMBL4697806

COC(=O)c1ccc(S(C)(=O)=O)c(-c2ccon2)c1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.48
VCAM1 P19320 1/20 0.34
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 4/20 0.34
HSD17B10 Q99714 2/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA5A P35218 1/20 0.34
CA9 Q16790 1/20 0.34
KDM4E B2RXH2 1/20 0.34
SDHB P21912 1/20 0.34
CMA1 P23946 1/20 0.34
FFAR4 Q5NUL3 1/20 0.33
CDK1 P06493 1/20 0.33
POLB P06746 1/20 0.33
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
MAPT P10636 2/20 0.33
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33

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
SCHEMBL8175098 0.86 GAA (0.42) GAAVCAM1SMN1; SMN2HSD17B10CA1
SCHEMBL4701584 0.86 GAA (0.38) GAALMNASMN1; SMN2KDM4EPOLB
SCHEMBL8022859 0.85 GAA (0.37) GAALMNAKDM4EPOLBMAPT
SCHEMBL6585945 0.77 KMT2A (0.43) VCAM1LMNASMN1; SMN2HSD17B10KDM4E
SCHEMBL28927865 0.75 P2RX3 (0.33) GAAP2RX3
SCHEMBL4700846 0.75 CA1 (0.45) GAAVCAM1LMNASMN1; SMN2HSD17B10
SCHEMBL8780086 0.74 LMNA (0.35) GAALMNAALOX15MDM2P2RX3
SCHEMBL4699882 0.73 LMNA (0.33) VCAM1LMNASMN1; SMN2HSD17B10CA1
SCHEMBL1357981 0.72 CA1 (0.42) GAAVCAM1LMNASMN1; SMN2HSD17B10
SCHEMBL5548265 0.71 CA1 (0.41) VCAM1LMNASMN1; SMN2HSD17B10CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1031573-B2 USE OF A BENZOYLPYRAZOLE COMPOUND AS HERBICIDE NIPPON SODA CO (JP) 2015-05-27 EP disclosed
EP-1031573-B1 NOVEL BENZOYLPYRAZOLE COMPOUNDS, INTERMEDIATES, AND HERBICIDES NIPPON SODA CO (JP) 2008-03-26 EP disclosed
US-6147031-A Benzoylpyrazole compounds, intermediate preparing therefor and herbicides NIPPON SODA CO., LTD. (JP) 2000-11-14 US disclosed
EP-1031573-A1 NOVEL BENZOYLPYRAZOLE COMPOUNDS, INTERMEDIATES, AND HERBICIDES NIPPON SODA CO., LTD. (JP) 2000-08-30 EP disclosed