SCHEMBL7405355

SCHEMBL7405355

N=C(N)c1ccc2[nH]c(-c3cccc(C(=O)O)n3)nc2c1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F10 P00742 11/20 0.51
F2 P00734 9/20 0.51
F7 P08709 4/20 0.51
PLAU P00749 8/20 0.49
PRSS1 P07477 8/20 0.49
PLG P00747 7/20 0.47
PLAT P00750 7/20 0.47
LANCL2 Q9NS86 1/20 0.46
F9 P00740 3/20 0.45
HPN P05981 1/20 0.44
PRSS2 P07478 1/20 0.44
PRSS3 P35030 1/20 0.44
F11 P03951 2/20 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
SCHEMBL2077857 0.87 F2 (0.60) F10F2F7PLAUPRSS1
Acetic Acid SCHEMBL5440440 0.83 PLAU (0.49) F10F2F7PLAUPRSS1
SCHEMBL7408233 0.83 F2 (0.55) F10F2F7PLAUPRSS1
SCHEMBL23201240 0.81 F2 (0.54) F10F2F7PLAUPRSS1
SCHEMBL30882746 0.81 F2 (0.54) F10F2F7PLAUPRSS1
Hydrochloric Acid SCHEMBL31364563 0.81 F2 (0.53) F10F2F7PLAUPRSS1
SCHEMBL7407323 0.80 F10 (0.52) F10F2F7PLAUPRSS1
SCHEMBL7405989 0.79 F2 (0.54) F10F2F7PLAUPRSS1
SCHEMBL23793906 0.79 F2 (0.51) F10F2F7PLAUPRSS1
SCHEMBL23775703 0.78 F2 (0.55) F10F2F7PLAUPRSS1

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