SCHEMBL8540855

SCHEMBL8540855

CCOC(=O)c1ccccc1I.O=S(=O)(O)Cl

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.61
ALDH1A1 P00352 5/20 0.53
HSD17B10 Q99714 4/20 0.53
KDM4E B2RXH2 6/20 0.49
KMT2A Q03164 1/20 0.49
LMNA P02545 5/20 0.47
CDC25B P30305 1/20 0.46
HPGD P15428 2/20 0.45
MAPK1 P28482 1/20 0.45
HTT P42858 3/20 0.45
TP53 P04637 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
GAA P10253 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
RECQL P46063 1/20 0.43

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
SCHEMBL995737 0.90 TSHR (0.74) TSHRALDH1A1HSD17B10KDM4EKMT2A
SCHEMBL8589676 0.82 CA1 (0.51) TSHRALDH1A1HSD17B10KDM4EKMT2A
Diethyl Phthalate SCHEMBL27896497 0.81 TSHR (0.84) TSHRALDH1A1HSD17B10KDM4EKMT2A
SCHEMBL23078360 0.78 TSHR (0.59) TSHRALDH1A1HSD17B10KMT2ACDC25B
SCHEMBL2458287 0.78 TSHR (0.65) TSHRALDH1A1HSD17B10KDM4EKMT2A
Diethyl Phthalate SCHEMBL29404255 0.77 TSHR (1.00) TSHRALDH1A1HSD17B10KDM4EKMT2A
Diethyl Phthalate SCHEMBL5306972 0.77 TSHR (1.00) TSHRALDH1A1HSD17B10KDM4EKMT2A
Diethyl Phthalate SCHEMBL22296 0.77 TSHR (1.00) TSHRALDH1A1HSD17B10KDM4EKMT2A
SCHEMBL1656703 0.77 TSHR (0.63) TSHRALDH1A1HSD17B10KDM4EKMT2A
SCHEMBL8890720 0.77 TSHR (0.56) TSHRALDH1A1HSD17B10KDM4EKMT2A

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-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
US-5688745-A Arylsulfonylureas and their use as herbicides and growth regulators HOECHST AKTIENGESELLSCHAFT (DE) 1997-11-18 US 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