SCHEMBL12095938

SCHEMBL12095938

COc1c(N2CCCCC2=O)cccc1S(=O)(=O)N[C@@H](C(N)=O)C(=O)N1CCN(CC(F)(F)F)CC1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F2 P00734 8/20 0.40
F10 P00742 6/20 0.40
F9 P00740 2/20 0.39
PLG P00747 2/20 0.39
PLAT P00750 2/20 0.39
KLKB1 P03952 2/20 0.39
PRSS1 P07477 2/20 0.39
PRSS2 P07478 2/20 0.39
PRSS3 P35030 2/20 0.39
TSHR P16473 1/20 0.33
ST14 Q9Y5Y6 1/20 0.33

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
SCHEMBL12095939 0.90 F2 (0.44) F2F10F9PLGPLAT
SCHEMBL1770855 0.89 F2 (0.42) F2F10F9PLGPLAT
SCHEMBL12095840 0.88 F2 (0.48) F2F10F9PLGPLAT
SCHEMBL12095931 0.87 F2 (0.51) F2F10F9PLGPLAT
SCHEMBL12095719 0.86 F2 (0.40) F2F10F9PLGPLAT
SCHEMBL12095910 0.85 F2 (0.51) F2F10F9PLGPLAT
SCHEMBL12096455 0.85 F2 (0.41) F2F10F9PLGPLAT
SCHEMBL12096171 0.85 F2 (0.42) F2F10F9PLGPLAT
SCHEMBL12095711 0.85 F10 (0.44) F2F10F9PLGPLAT
SCHEMBL12095717 0.84 F2 (0.43) F2F10F9PLGPLAT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2254881-B1 CHLOROTHIOPHENE-AMIDES AS INHIBITORS OF COAGULATION FACTORS XA AND THROMBIN SANOFI SA (FR) 2012-09-12 EP disclosed