SCHEMBL8539377

SCHEMBL8539377

CCCCNS(=O)(=O)c1cccc(C(=O)OC)c1I

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 4/20 0.60
CA12 O43570 3/20 0.60
RIPK1 Q13546 1/20 0.46
ALDH1A1 P00352 3/20 0.45
CYP1A2 P05177 3/20 0.45
CYP2C19 P33261 3/20 0.45
CYP3A4 P08684 2/20 0.45
RECQL P46063 1/20 0.45
KDM4E B2RXH2 1/20 0.45
HPGD P15428 1/20 0.45
HSD17B10 Q99714 1/20 0.45
TSHR P16473 3/20 0.44
MEN1 O00255 1/20 0.44
TP53 P04637 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA5A P35218 1/20 0.43
POLB P06746 1/20 0.41

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
SCHEMBL9137951 0.85 HTT (0.54) CA9CA12ALDH1A1CYP2C19TSHR
SCHEMBL8537343 0.80 CA1 (0.49) CA9ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL8117415 0.75 KDM4E (0.51) CA9CA12ALDH1A1CYP1A2CYP2C19
SCHEMBL28674936 0.75 CA12 (0.69) CA9CA12ALDH1A1CYP1A2CYP2C19
SCHEMBL8539302 0.75 CA2 (0.71) CA9CA12ALDH1A1KDM4EHSD17B10
SCHEMBL8827344 0.75 CA1 (0.53) CA9ALDH1A1KDM4EHSD17B10TSHR
SCHEMBL27396577 0.74 CA9 (0.50) CA9CA12RIPK1ALDH1A1CYP1A2
SCHEMBL27417409 0.73 CA12 (0.49) CA9CA12ALDH1A1CYP1A2CYP2C19
SCHEMBL3978111 0.73 CA12 (0.61) CA9CA12ALDH1A1CYP1A2CYP2C19
SCHEMBL8062917 0.73 CA9 (0.74) CA9CA12ALDH1A1CYP1A2CYP2C19

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
EP-0574418-B1 ARYL SULPHONYL UREA COMPOUNDS, A METHOD OF PREPARING THEM, AND THEIR USE AS HERBICIDES AND GROWTH REGULATORS HOECHST SCHERING AGREVO GMBH (DE) 1998-11-11 EP disclosed
EP-0574418-A1 ARYL SULPHONYL UREA COMPOUNDS, A METHOD OF PREPARING THEM, AND THEIR USE AS HERBICIDES AND GROWTH REGULATORS Hoechst Schering AgrEvo GmbH (DE) 1993-12-22 EP disclosed
WO-1992013845-A1 ARYL SULPHONYL UREA COMPOUNDS, A METHOD OF PREPARING THEM, AND THEIR USE AS HERBICIDES AND GROWTH REGULATORS HOECHST AKTIENGESELLSCHAFT (DE) 1992-08-20 WO disclosed