SCHEMBL3820751

SCHEMBL3820751

N=C(N)NOS(=O)(=O)CC(=O)c1cc2c(I)cccc2s1

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PLAU P00749 6/20 0.54
F9 P00740 6/20 0.54
F10 P00742 4/20 0.54
SLC9A1 P19634 11/20 0.52
DYRK1A Q13627 1/20 0.36
DYRK1B Q9Y463 1/20 0.36

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
SCHEMBL3814353 0.88 SLC9A1 (0.51) PLAUF9F10SLC9A1
SCHEMBL3817053 0.88 PRP4K (0.39) PLAUF9F10SLC9A1DYRK1A
SCHEMBL3813765 0.87 PLAU (0.54) PLAUF9F10SLC9A1
SCHEMBL3815869 0.87 SLC9A1 (0.52) PLAUF9F10SLC9A1
SCHEMBL3819197 0.87 SLC9A1 (0.52) PLAUF9F10SLC9A1
SCHEMBL3818017 0.86 SLC9A1 (0.55) PLAUF9F10SLC9A1
SCHEMBL3815060 0.85 SLC9A1 (0.56) PLAUF9F10SLC9A1
SCHEMBL3824480 0.85 SLC9A1 (0.53) PLAUF9F10SLC9A1
SCHEMBL3813474 0.84 F9 (0.57) F9SLC9A1DYRK1ADYRK1B
SCHEMBL3813018 0.84 SLC9A1 (0.55) PLAUF9F10SLC9A1

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-1831192-A4 BENZOTHIOPHEN-2-CARBONYLGUANIDINE DERIVATIVES, PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME KOREA RES INST CHEM TECH (KR) 2009-08-19 EP disclosed
EP-1831192-A1 BENZOTHIOPHEN-2-CARBONYLGUANIDINE DERIVATIVES, PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME Korea Research Institute of Chemical Technology (KR) 2007-09-12 EP disclosed
WO-2006071047-A1 BENZOTHIOPHEN-2-CARBONYLGUANIDINE DERIVATIVES, PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2006-07-06 WO disclosed