SCHEMBL7449093

SCHEMBL7449093

N=C(N)c1ccc(CC([C]=O)N2CCC(NS(=O)(=O)c3ccc4ccccc4c3)C2=O)cc1

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F10 P00742 19/20 0.60
PLG P00747 2/20 0.60
PROC P04070 2/20 0.60
F2 P00734 9/20 0.59
PRSS1 P07477 2/20 0.59
PRSS2 P07478 1/20 0.59
PRSS3 P35030 1/20 0.59

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
SCHEMBL8993791 0.88 F2 (0.63) F10PLGPROCF2PRSS1
SCHEMBL8993767 0.84 F2 (0.62) F10PLGPROCF2PRSS1
SCHEMBL8993740 0.84 F2 (0.58) F10PLGPROCF2PRSS1
SCHEMBL8993790 0.83 F2 (0.66) F10PLGPROCF2PRSS1
SCHEMBL8993691 0.80 F2 (0.64) F10PLGPROCF2PRSS1
SCHEMBL8993694 0.80 F2 (0.61) F10PLGPROCF2PRSS1
SCHEMBL8993724 0.79 F10 (0.73) F10PLGPROCF2PRSS1
SCHEMBL8993800 0.79 F10 (0.70) F10PLGPROCF2PRSS1
SCHEMBL8993743 0.78 F10 (0.63) F10PLGPROCF2PRSS1
SCHEMBL8993711 0.78 F10 (0.54) F10PLGPROCF2PRSS1

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-0975608-A2 HALO-ALKOXYCARBONYL PRODRUGS Genentech, Inc. (US) 2000-02-02 EP disclosed
WO-1998046576-A2 HALO-ALKOXYCARBONYL PRODRUGS GENENTECH, INC. (US) 1998-10-22 WO disclosed