SCHEMBL6203217

SCHEMBL6203217

O=C1CN(C(N=S(=O)=O)c2ccncc2-c2ccc(Cl)cc2)C(=O)N1c1ccc(S(=O)(=O)C(F)(F)F)cc1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 2/20 0.33
PTGS1 P23219 2/20 0.31
PTGS2 P35354 2/20 0.31
BCL2L1 Q07817 1/20 0.30

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
SCHEMBL6207381 0.87 MARS1 (0.33) CACNA1BPTGS2
SCHEMBL6175775 0.84 PTGS2 (0.33) PTGS1PTGS2
SCHEMBL2939721 0.75 ENPP2 (0.38) CACNA1BPTGS1PTGS2BCL2L1
SCHEMBL6173288 0.71 MAPT (0.32)
SCHEMBL6171783 0.71 CACNA1B (0.35) CACNA1BPTGS1PTGS2
SCHEMBL6174915 0.71 MAPT (0.38) CACNA1B
SCHEMBL2941888 0.67 IGF1R (0.38) CACNA1BPTGS1PTGS2
SCHEMBL6173810 0.67 MAPT (0.35) PTGS2
SCHEMBL2942214 0.67 IGF1R (0.47) CACNA1BBCL2L1
SCHEMBL2939355 0.66 ENPP2 (0.43) CACNA1BPTGS1PTGS2BCL2L1

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-1599464-A2 NOVEL CYCLIC UREA DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL USE OF SAME AS KINASE INHIBITORS Aventis Pharma S.A. (FR) 2005-11-30 EP disclosed
WO-2004070050-A2 CYCLIC UREA DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL USE OF SAME AS KINASE INHIBITORS AVENTIS PHARMA S.A. (FR) 2004-08-19 WO disclosed