SCHEMBL7406189

SCHEMBL7406189

N=C(N)c1ccc2[nH]c(-c3cccnn3)nc2c1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F2 P00734 10/20 0.57
F10 P00742 10/20 0.57
F7 P08709 3/20 0.57
PLAU P00749 8/20 0.49
PRSS1 P07477 8/20 0.49
PLG P00747 7/20 0.47
PLAT P00750 7/20 0.47
HPN P05981 1/20 0.46
PRSS2 P07478 1/20 0.46
PRSS3 P35030 1/20 0.46
F9 P00740 1/20 0.42

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 0.85 F2 (0.60) F2F10F7PLAUPRSS1
SCHEMBL6161244 0.83 F2 (0.81) F2F10F7PLAUPRSS1
Hydrochloric Acid SCHEMBL30385750 0.82 F2 (0.79) F2F10F7PLAUPRSS1
Hydrochloric Acid SCHEMBL23201161 0.82 F2 (0.79) F2F10F7PLAUPRSS1
SCHEMBL7408233 0.81 F2 (0.55) F2F10F7PLAUPRSS1
Hydrochloric Acid SCHEMBL29202497 0.80 F2 (0.68) F2F10F7PLAUPRSS1
SCHEMBL7409967 0.80 F10 (0.60) F2F10F7PLAUPRSS1
SCHEMBL23201240 0.80 F2 (0.54) F2F10F7PLAUPRSS1
SCHEMBL30882746 0.80 F2 (0.54) F2F10F7PLAUPRSS1
SCHEMBL23775703 0.79 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