SCHEMBL7404384

SCHEMBL7404384

N=C(N)c1ccc2[nH]c(-c3cc(O)c4cccc(O)c4n3)nc2c1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F2 P00734 13/20 0.54
F10 P00742 13/20 0.54
PLAU P00749 12/20 0.54
PRSS1 P07477 12/20 0.54
PLG P00747 11/20 0.54
PLAT P00750 10/20 0.54
HPN P05981 1/20 0.50
PRSS2 P07478 1/20 0.50
PRSS3 P35030 1/20 0.50
F7 P08709 3/20 0.48
F9 P00740 1/20 0.43

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
SCHEMBL7410247 0.85 F2 (0.55) F2F10PLAUPRSS1PLG
SCHEMBL2077857 0.80 F2 (0.60) F2F10PLAUPRSS1PLG
SCHEMBL7408233 0.78 F2 (0.55) F2F10PLAUPRSS1PLG
SCHEMBL30583190 0.77 F2 (0.81) F2F10PLAUPRSS1PLG
SCHEMBL4992404 0.77 F2 (0.81) F2F10PLAUPRSS1PLG
Hydrochloric Acid SCHEMBL29202497 0.76 F2 (0.68) F2F10PLAUPRSS1PLG
SCHEMBL23201240 0.75 F2 (0.54) F2F10PLAUPRSS1PLG
SCHEMBL30882746 0.75 F2 (0.54) F2F10PLAUPRSS1PLG
SCHEMBL10066917 0.74 F2 (0.68) F2F10PLAUPRSS1PLG
Hydrochloric Acid SCHEMBL11293360 0.74 PLAU (0.64) F2F10PLAUPRSS1PLG

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
US-6150379-A BLOOD COAGULATION FACTOR XA INHIBITORS; TREATING DISEASES ASSOCIATED WITH SERINE PROTEASE ACTIVITY; THROMBOLYTIC AND ISCHEMIC AGENTS; E.G., 2-(6-(5-AMIDINO-1H-BENZIMIDAZOL-2-YL)-PYRID-3-YLCARBONYLAMINO)-3 -HYDROXYBUTYRIC ACID AXYS PHARMACEUTICALS, INC. (US) 2000-11-21 US disclosed
WO-1999026941-A1 SUBSTITUTED AMIDINOARYL DERIVATIVES AND THEIR USE AS ANTICOAGULANTS AXYS PHARMACEUTICALS, INC. (US) 1999-06-03 WO disclosed