SCHEMBL8028098

SCHEMBL8028098

N=C(N)c1ccc(Cc2oc3cc(NS(=O)(=O)c4cccc5c4NCCC5)ccc3c2Br)cc1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F2 P00734 14/20 0.43
PLAU P00749 1/20 0.32
MAP1LC3B Q9GZQ8 2/20 0.32
MAP1LC3A Q9H492 2/20 0.32
MASP2 O00187 1/20 0.31
PRSS1 P07477 1/20 0.31
PRSS2 P07478 1/20 0.31
PRSS3 P35030 1/20 0.31

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
SCHEMBL8017305 0.84 F2 (0.43) F2PLAUMASP2
Hydrochloric Acid SCHEMBL8016588 0.79 F2 (0.63) F2
SCHEMBL6762034 0.74 F2 (0.41) F2PLAUPRSS1PRSS2PRSS3
Hydrochloric Acid SCHEMBL8031426 0.70 F2 (0.65) F2
SCHEMBL6762037 0.69 F2 (0.37) F2PLAUPRSS1PRSS2PRSS3
SCHEMBL6635424 0.68 F2 (0.47) F2PLAU
SCHEMBL8026426 0.67 MEN1 (0.48) F2
SCHEMBL6636352 0.67 F2 (0.39) F2
SCHEMBL6635420 0.65 F2 (0.37) F2
SCHEMBL6636348 0.64 F2 (0.36) F2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1060166-A1 FIVE-MEMBERED, BENZO-CONDENSED HETEROCYCLES USED AS ANTITHROMBOTIC AGENTS Boehringer Ingelheim Pharma KG (DE) 2000-12-20 EP disclosed
US-6114532-A ANTICOAGULANT BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-09-05 US disclosed
WO-1999040072-A1 FIVE-MEMBERED, BENZO-CONDENSED HETEROCYCLES USED AS ANTITHROMBOTIC AGENTS BOEHRINGER INGELHEIM PHARMA KG (DE) 1999-08-12 WO disclosed