SCHEMBL8032829

SCHEMBL8032829

N=C(N)c1ccc2ncn(CC(=O)Nc3ccc(-c4ccccc4S(N)(=O)=O)cc3)c2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
F10 P00742 20/20 1.00
PRSS1 P07477 14/20 1.00
F2 P00734 11/20 1.00
F9 P00740 1/20 0.55
PRSS2 P07478 3/20 0.52
PRSS3 P35030 3/20 0.52

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 0.93 F10 (1.00) F10PRSS1F2F9PRSS2
SCHEMBL8029289 0.88 F10 (1.00) F10PRSS1F2
SCHEMBL8032811 0.78 F10 (0.77) F10PRSS1F2
SCHEMBL7473566 0.76 F10 (1.00) F10PRSS1F2F9PRSS2
SCHEMBL8019753 0.75 F10 (0.66) F10PRSS1F2F9PRSS2
SCHEMBL7361157 0.75 F10 (0.64) F10PRSS1F2F9PRSS2
SCHEMBL7478524 0.75 F10 (1.00) F10PRSS1PRSS2PRSS3
SCHEMBL7453073 0.74 F10 (0.70) F10PRSS1F2F9PRSS2
SCHEMBL7476896 0.74 F10 (0.79) F10PRSS1F2F9PRSS2
SCHEMBL7406525 0.74 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6043257-A ANTICOAGULANT; PYRIDINE SUBSTITUTED INDAZOLE COMPOUND E. I. DU PONT DE NEMOURS AND COMPANY (US) 2000-03-28 US disclosed