SCHEMBL7368937

SCHEMBL7368937

CON=C(N)c1ccc2nc(-c3ccccn3)[nH]c2c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.67
F10 P00742 1/20 0.67
F7 P08709 1/20 0.67
NPC1 O15118 6/20 0.60
RAB9A P51151 6/20 0.60
RUNX1 Q01196 1/20 0.60
CBFB Q13951 9/20 0.57
METAP2 P50579 8/20 0.57
METAP1 P53582 6/20 0.57
PKM P14618 4/20 0.57
SMN1; SMN2 Q16637 4/20 0.57
HPGD P15428 3/20 0.57
KDM4E B2RXH2 3/20 0.57
LMNA P02545 3/20 0.57
TP53 P04637 2/20 0.57
MAPT P10636 2/20 0.57
GAA P10253 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
CHEK2 O96017 1/20 0.56

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
SCHEMBL30832867 0.81 CHEK2 (0.82) F2F10F7NPC1RAB9A
SCHEMBL7371342 0.81 F2 (1.00) F2F10F7NPC1RAB9A
SCHEMBL19982677 0.80 F2 (0.65) F2F10F7NPC1RAB9A
SCHEMBL32660766 0.80 F2 (0.65) F2F10F7NPC1RAB9A
SCHEMBL7368935 0.80 F2 (0.71) F2F10F7NPC1RAB9A
SCHEMBL7402927 0.79 F2 (0.62) F2F10F7NPC1RAB9A
SCHEMBL19970726 0.77 F2 (0.70) F2F10F7NPC1RAB9A
SCHEMBL11035024 0.76 METAP1 (0.70) F2F10F7NPC1RAB9A
SCHEMBL10351275 0.75 NPC1 (1.00) NPC1RAB9ARUNX1CBFBMETAP2
SCHEMBL4371835 0.73 METAP2 (1.00) F2F10F7NPC1RAB9A

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