SCHEMBL8539352

SCHEMBL8539352

COC(=O)c1cccc(S(=O)(=O)N=C=O)c1I

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA5A P35218 1/20 0.47
CA9 Q16790 1/20 0.47
KDM4E B2RXH2 2/20 0.40
POLB P06746 1/20 0.40
ATM Q13315 1/20 0.40
TSHR P16473 3/20 0.38
LMNA P02545 1/20 0.38
F2 P00734 1/20 0.38
PRSS1 P07477 1/20 0.38
PRSS2 P07478 1/20 0.38
PRSS3 P35030 1/20 0.38
NPC1 O15118 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 3/20 0.38
ALDH1A1 P00352 2/20 0.37
HSD17B10 Q99714 2/20 0.37
CFTR P13569 1/20 0.37
SLC40A1 Q9NP59 1/20 0.37

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
SCHEMBL6228820 0.85 CA1 (0.59) CA1CA2CA5ACA9KDM4E
SCHEMBL9138762 0.85 NPC1 (0.43) CA1CA2CA5ACA9KDM4E
SCHEMBL9139053 0.85 TSHR (0.46) CA1CA2CA9KDM4EPOLB
SCHEMBL9139410 0.83 ALDH1A1 (0.49) KDM4EPOLBTSHRLMNAALDH1A1
SCHEMBL3765284 0.82 F2 (0.43) CA1CA2CA9TSHRF2
SCHEMBL9139851 0.81 CA1 (0.40) CA1CA2CA5ACA9KDM4E
SCHEMBL9143322 0.81 CA1 (0.40) CA1CA2CA5ACA9KDM4E
SCHEMBL8827344 0.78 CA1 (0.53) CA1CA2CA5ACA9KDM4E
SCHEMBL8539302 0.78 CA2 (0.71) CA1CA2CA5ACA9KDM4E
SCHEMBL6012073 0.78 CA2 (0.40) CA1CA2CA5ACA9KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5463081-A Chemical intermediates HOECHST AKTIENGESELLSCHAFT (DE) 1995-10-31 US claimed
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
US-5463081-A Chemical intermediates HOECHST AKTIENGESELLSCHAFT (DE) 1995-10-31 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