SCHEMBL7684173

SCHEMBL7684173

N=C(N)c1cccc(/C(=C\C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)C(F)(F)F)c1

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 4/20 0.64
PRSS2 P07478 3/20 0.64
PRSS3 P35030 3/20 0.64
F2 P00734 2/20 0.62
KCNH2 Q12809 1/20 0.62

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
SCHEMBL7448368 1.00 F10 (1.00) F10PRSS1PRSS2PRSS3F2
SCHEMBL7448372 1.00 F10 (1.00) F10PRSS1PRSS2PRSS3F2
SCHEMBL7451947 0.85 F10 (1.00) F10PRSS1PRSS2PRSS3F2
SCHEMBL7681967 0.85 F10 (1.00) F10PRSS1PRSS2PRSS3F2
SCHEMBL7451943 0.85 F10 (1.00) F10PRSS1PRSS2PRSS3F2
SCHEMBL7449244 0.83 F10 (1.00) F10PRSS1PRSS2PRSS3F2
SCHEMBL7690239 0.81 F10 (0.88) F10PRSS1F2KCNH2
SCHEMBL7455481 0.81 F10 (1.00) F10PRSS1F2KCNH2
SCHEMBL7683937 0.81 F10 (1.00) F10PRSS1F2KCNH2
SCHEMBL7455475 0.81 F10 (1.00) F10PRSS1F2KCNH2

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-6399627-B1 ANTICOAGULANTS; PROTHROMINASE, SERINE PROTEASE INHIBITOR; ACRYLAMIDE DERIVATIVES COR THERAPEUTICS, INC. 2002-06-04 US disclosed