SCHEMBL8017305

SCHEMBL8017305

N=C(N)c1ccc(Cc2cc3ccc(NS(=O)(=O)c4cccc5c4NCCC5)cc3o2)cc1

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F2 P00734 13/20 0.43
PLAU P00749 1/20 0.37
PARP1 P09874 1/20 0.33
F10 P00742 1/20 0.33
MASP2 O00187 1/20 0.32

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
SCHEMBL8028098 0.84 F2 (0.43) F2PLAUMASP2
SCHEMBL6762034 0.76 F2 (0.41) F2PLAU
SCHEMBL6762037 0.70 F2 (0.37) F2PLAU
SCHEMBL13696856 0.64 F2 (0.44) F2
Hydrochloric Acid SCHEMBL8016588 0.64 F2 (0.63) F2
Hydrochloric Acid SCHEMBL8031426 0.64 F2 (0.65) F2
SCHEMBL6572898 0.62 IDH1 (0.40) F2PARP1
SCHEMBL7075389 0.62 F10 (0.46) F2F10
Hydrochloric Acid SCHEMBL8016170 0.61 F2 (0.63) F2
SCHEMBL17458779 0.60 SRC (0.47) 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