SCHEMBL7478524

SCHEMBL7478524

N=C(N)c1cccc(OCC(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F10 P00742 20/20 1.00
PRSS1 P07477 6/20 1.00
PLG P00747 1/20 0.67
PROC P04070 1/20 0.67
KLK1 P06870 1/20 0.67
PRSS2 P07478 1/20 0.63
PRSS3 P35030 1/20 0.63

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
SCHEMBL6296950 0.92 F10 (0.85) F10PRSS1PLGPROCKLK1
SCHEMBL7113702 0.91 F10 (1.00) F10PRSS1PLGPROCKLK1
SCHEMBL7476896 0.89 F10 (0.79) F10PRSS1PLGPROCKLK1
SCHEMBL7473566 0.85 F10 (1.00) F10PRSS1PRSS2PRSS3
SCHEMBL7122855 0.83 F10 (0.71) F10PRSS1PLGPROCKLK1
SCHEMBL7406525 0.83 F10 (0.77) F10PRSS1PRSS2PRSS3
SCHEMBL6303558 0.83 F10 (0.84) F10PRSS1PLGPROCKLK1
SCHEMBL6805032 0.82 F10 (0.70) F10PRSS1PLGPROCKLK1
SCHEMBL7115966 0.82 F10 (0.70) F10PRSS1PRSS2PRSS3
SCHEMBL7114685 0.82 F10 (0.70) F10PRSS1PLGPROCKLK1

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-1183235-A2 INHIBITORS OF FACTOR Xa COR THERAPEUTICS, INC. (US) 2002-03-06 EP disclosed
WO-2000071510-A2 INHIBITORS OF FACTOR Xa COR THERAPEUTICS, INC. (US) 2000-11-30 WO disclosed