SCHEMBL8993729

SCHEMBL8993729

COc1cc(S(=O)(=O)NC2CCCN(C(Cc3ccc(C(=N)N)cc3)C(=O)O)C2=O)cc2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F2 P00734 7/20 0.53
PRSS1 P07477 5/20 0.53
PRSS2 P07478 4/20 0.53
PRSS3 P35030 4/20 0.53
F10 P00742 15/20 0.48
F9 P00740 4/20 0.45
PLG P00747 2/20 0.43
PROC P04070 2/20 0.43

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
SCHEMBL8993777 0.95 F10 (0.51) F2PRSS1PRSS2PRSS3F10
SCHEMBL8993682 0.93 F2 (0.51) F2PRSS1PRSS2PRSS3F10
SCHEMBL8993737 0.92 F2 (0.52) F2PRSS1PRSS2PRSS3F10
SCHEMBL8993727 0.91 F10 (0.55) F2PRSS1PRSS2PRSS3F10
SCHEMBL8993706 0.89 F2 (0.51) F2PRSS1PRSS2PRSS3F10
SCHEMBL8993789 0.88 F10 (0.51) F2PRSS1PRSS2PRSS3F10
SCHEMBL8993698 0.87 F10 (0.59) F2PRSS1PRSS2PRSS3F10
SCHEMBL8993695 0.87 F10 (0.59) F2PRSS1PRSS2PRSS3F10
SCHEMBL8993790 0.86 F2 (0.66) F2PRSS1PRSS2PRSS3F10
SCHEMBL8993746 0.85 F10 (0.66) F2PRSS1PRSS2PRSS3F10

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
US-5489583-A FOR TREATING OR PREVENTING THROMBOSIS BASF AKTIENGESELLSCHAFT (DE) 1996-02-06 US disclosed