SCHEMBL9196319

SCHEMBL9196319

CCc1c(S(N)(=O)=O)c(C(=O)OC)nn1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.35
CA2 P00918 12/20 0.35
CA1 P00915 10/20 0.35
CA9 Q16790 10/20 0.35
CA12 O43570 9/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CA14 Q9ULX7 4/20 0.35
CA5A P35218 2/20 0.34
CA3 P07451 1/20 0.34
CA4 P22748 1/20 0.34
CA6 P23280 1/20 0.34
CA7 P43166 1/20 0.34
CA13 Q8N1Q1 1/20 0.34
CA5B Q9Y2D0 1/20 0.34
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34

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
SCHEMBL9197985 0.80 HPGD (0.43) ALDH1A1KDM4EHPGDHSD17B10L3MBTL1
SCHEMBL9197543 0.73 KDM4E (0.47) ALDH1A1KDM4EHPGDHSD17B10CA2
SCHEMBL9199107 0.73 HTT (0.37) ALDH1A1KDM4EHPGDHSD17B10CA2
SCHEMBL23732189 0.72 KDM4E (0.40) ALDH1A1KDM4EHPGDHSD17B10CA2
SCHEMBL9196806 0.72 ALDH1A1 (0.45) ALDH1A1KDM4EHPGDHSD17B10L3MBTL1
SCHEMBL23732262 0.70 ALDH1A1 (0.38) ALDH1A1KDM4EHPGDHSD17B10CA2
SCHEMBL9200764 0.68 HPGD (0.50) ALDH1A1KDM4EHPGDHSD17B10L3MBTL1
SCHEMBL27162952 0.66 NPSR1 (0.39) ALDH1A1KDM4EHSD17B10L3MBTL1NPSR1
SCHEMBL17520308 0.66 NPSR1 (0.39) ALDH1A1KDM4EHPGDHSD17B10L3MBTL1
SCHEMBL23127817 0.66 KMT2A (0.43) ALDH1A1KDM4EHPGDCA2CA1

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
EP-0087780-B2 Pyrazolesulfonylurea derivative, preparation thereof, herbicide containing said derivative as active ingredient and herbicidal method by use thereof NISSAN CHEMICAL IND LTD (JP) 1995-02-15 EP disclosed
US-4954164-A Pyrazolesulfonylurea derivatives, preparation thereof, herbicide containing said derivative as active ingredient and herbicidal method by use thereof NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1990-09-04 US disclosed