SCHEMBL7408233

SCHEMBL7408233

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

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F2 P00734 13/20 0.55
F10 P00742 13/20 0.55
F7 P08709 2/20 0.55
PLAU P00749 12/20 0.54
PRSS1 P07477 12/20 0.54
PLG P00747 11/20 0.54
PLAT P00750 11/20 0.54
HPN P05981 1/20 0.50
PRSS2 P07478 1/20 0.50
PRSS3 P35030 1/20 0.50
F9 P00740 1/20 0.48

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 0.92 F2 (0.60) F2F10F7PLAUPRSS1
SCHEMBL30882746 0.86 F2 (0.54) F2F10F7PLAUPRSS1
SCHEMBL23201240 0.86 F2 (0.54) F2F10F7PLAUPRSS1
Hydrochloric Acid SCHEMBL31364563 0.85 F2 (0.53) F2F10F7PLAUPRSS1
SCHEMBL23793906 0.83 F2 (0.51) F2F10F7PLAUPRSS1
SCHEMBL7405355 0.83 F10 (0.51) F2F10F7PLAUPRSS1
SCHEMBL23775703 0.82 F2 (0.55) F2F10F7PLAUPRSS1
SCHEMBL23793811 0.82 F10 (0.50) F2F10F7PLAUPRSS1
Hydrochloric Acid SCHEMBL28582608 0.82 F2 (0.50) F2F10F7PLAUPRSS1
SCHEMBL7410247 0.82 F2 (0.55) F2F10F7PLAUPRSS1

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