SCHEMBL7370946

SCHEMBL7370946

CCCCc1ccc(-c2nc3ccc(C(=N)N)cc3[nH]2)nc1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F2 P00734 5/20 0.57
F10 P00742 5/20 0.57
F7 P08709 3/20 0.57
PLAU P00749 7/20 0.51
PLG P00747 6/20 0.51
HDAC3 O15379 1/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC2 Q92769 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
PRSS1 P07477 2/20 0.50
PLAT P00750 2/20 0.49
MPL P40238 1/20 0.49
CBFB Q13951 1/20 0.49

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
SCHEMBL7405923 0.92 F2 (0.47) F2F10F7PLAUPLG
SCHEMBL23793905 0.80 F2 (0.50) F2F10F7PLAUPLG
Hydrochloric Acid SCHEMBL28577597 0.79 F2 (0.49) F2F10F7PLAUPLG
Hydrochloric Acid SCHEMBL30882325 0.79 F2 (0.49) F2F10F7PLAUPLG
SCHEMBL11453513 0.78 NPC1 (0.51) HDAC6CBFB
SCHEMBL7373376 0.76 F10 (0.46) F2F10PLAUPLGPRSS1
SCHEMBL14519373 0.74 PLAU (0.73) F2F10F7PLAUPLG
SCHEMBL14519400 0.74 CHEK2 (0.68) F2F10F7PLAUPLG
SCHEMBL29361810 0.74 F10 (0.70) F2F10F7PLAUPLG
SCHEMBL5394696 0.74 PLAU (0.68) F2F10F7PLAUPLG

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