SCHEMBL6565553

SCHEMBL6565553

CS(=O)(=O)c1ccccc1-c1ccc(NC(=O)C(N)=O)c(F)c1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F10 P00742 19/20 0.55
F2 P00734 6/20 0.55
PRSS1 P07477 4/20 0.55
PRSS2 P07478 3/20 0.52
PRSS3 P35030 3/20 0.52
F9 P00740 1/20 0.49
PROC P04070 1/20 0.49
KLK1 P06870 1/20 0.49

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
SCHEMBL6238878 0.86 F10 (0.57) F10F2PRSS1PRSS2PRSS3
SCHEMBL6839520 0.84 F10 (0.55) F10F2PRSS1PRSS2PRSS3
SCHEMBL6838928 0.82 F10 (0.55) F10F2PRSS1PRSS2PRSS3
SCHEMBL3833828 0.82 F10 (0.53) F10F2PRSS1PRSS2PRSS3
SCHEMBL3830430 0.81 F10 (0.52) F10F2PRSS1PRSS2PRSS3
SCHEMBL4681061 0.78 F10 (0.52) F10F2PRSS1PRSS2PRSS3
SCHEMBL4680762 0.77 F10 (0.51) F10F2PRSS1PRSS2PRSS3
SCHEMBL6258631 0.76 F10 (0.61) F10F2PRSS1PRSS2PRSS3
SCHEMBL6838432 0.76 F10 (0.48) F10F2PRSS1PRSS2PRSS3
SCHEMBL10143891 0.76 F10 (0.64) F10F2PRSS1PRSS2PRSS3

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-1377543-A1 OXALIC ACID DERIVATIVES MERCK PATENT GmbH (DE) 2004-01-07 EP claimed
WO-2002083630-A1 OXALIC ACID DERIVATIVES MERCK PATENT GMBH (DE) 2002-10-24 WO claimed