SCHEMBL7438112

SCHEMBL7438112

CNC(=O)Cn1cc(-c2ccc(-c3ccccc3S(N)(=O)=O)cc2)c2cc(C(=N)N)ccc21

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F10 P00742 20/20 0.59
PRSS1 P07477 16/20 0.59
F2 P00734 11/20 0.59
F9 P00740 1/20 0.51
PRSS2 P07478 1/20 0.48
PRSS3 P35030 1/20 0.48
PLG P00747 1/20 0.48
PROC P04070 1/20 0.48
KLK1 P06870 1/20 0.48

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
SCHEMBL8019749 0.75 F10 (1.00) F10PRSS1F2F9PRSS2
SCHEMBL8032829 0.73 F10 (1.00) F10PRSS1F2F9PRSS2
SCHEMBL8029289 0.70 F10 (1.00) F10PRSS1F2PLGPROC
SCHEMBL7473566 0.69 F10 (1.00) F10PRSS1F2F9PRSS2
SCHEMBL7019485 0.69 F10 (0.54) F10
SCHEMBL7438119 0.69 F10 (0.66) F10PRSS1F2F9PRSS2
SCHEMBL7367326 0.68 F10 (1.00) F10PRSS1F2F9PRSS2
SCHEMBL12132476 0.68 F10 (0.75) F10PRSS1PRSS2PRSS3PLG
SCHEMBL7453073 0.67 F10 (0.70) F10PRSS1F2F9PRSS2
SCHEMBL7406525 0.67 F10 (0.77) F10PRSS1F2PRSS2PRSS3

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-0960102-A1 AMIDINOINDOLES, AMIDINOAZOLES, AND ANALOGS THEREOF AS INHIBITORS OF FACTOR Xa AND OF THROMBIN Du Pont Pharmaceuticals Company (US) 1999-12-01 EP claimed
WO-1998001428-A1 AMIDINOINDOLES, AMIDINOAZOLES, AND ANALOGS THEREOF AS INHIBITORS OF FACTOR Xa AND OF THROMBIN DU PONT PHARMACEUTICALS COMPANY (US) 1998-01-15 WO claimed