SCHEMBL8993782

SCHEMBL8993782

N=C(N)c1ccc(CC(C(=O)N2CCCCC2)N2CCCC(NS(=O)(=O)c3ccc4cc5c(cc4c3)OCCO5)C2=O)cc1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F10 P00742 14/20 0.53
F2 P00734 3/20 0.52
PRSS1 P07477 3/20 0.52
PRSS2 P07478 3/20 0.52
PRSS3 P35030 3/20 0.52
PLG P00747 1/20 0.45
PLAU P00749 1/20 0.45

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
SCHEMBL8993707 0.96 F10 (0.57) F10F2PRSS1PRSS2PRSS3
SCHEMBL8993819 0.96 F10 (0.53) F10F2PRSS1PRSS2PRSS3
SCHEMBL8993807 0.92 F10 (0.57) F10F2PRSS1PRSS2PRSS3
SCHEMBL8993691 0.90 F2 (0.64) F10F2PRSS1PRSS2PRSS3
SCHEMBL8993720 0.89 F2 (0.57) F10F2PRSS1PRSS2PRSS3
SCHEMBL8993757 0.88 F10 (0.65) F10F2PRSS1PRSS2PRSS3
SCHEMBL8993703 0.88 F10 (0.62) F10F2PRSS1PRSS2PRSS3
SCHEMBL8993756 0.88 F2 (0.58) F10F2PRSS1PRSS2PRSS3
SCHEMBL8993765 0.88 F2 (0.54) F10F2PRSS1PRSS2PRSS3
SCHEMBL8993767 0.87 F2 (0.62) 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 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