SCHEMBL7410247

SCHEMBL7410247

N=C(N)c1ccc2[nH]c(-c3ccc4cccc(O)c4n3)nc2c1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F2 P00734 13/20 0.55
F10 P00742 13/20 0.55
PLAU P00749 12/20 0.55
PRSS1 P07477 12/20 0.55
PLG P00747 11/20 0.55
PLAT P00750 10/20 0.55
HPN P05981 1/20 0.51
PRSS2 P07478 1/20 0.51
PRSS3 P35030 1/20 0.51
F7 P08709 3/20 0.49
F9 P00740 1/20 0.44

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
SCHEMBL7404384 0.85 F2 (0.54) F2F10PLAUPRSS1PLG
SCHEMBL2077857 0.84 F2 (0.60) F2F10PLAUPRSS1PLG
SCHEMBL6165020 0.83 KDM4E (0.61) F2F10PLAUPRSS1PLG
SCHEMBL23775703 0.82 F2 (0.55) F2F10PLAUPRSS1PLG
Hydrochloric Acid SCHEMBL23201170 0.82 KDM4E (0.59) F2F10PLAUPRSS1PLG
Hydrochloric Acid SCHEMBL30882714 0.82 KDM4E (0.59) F2F10PLAUPRSS1PLG
SCHEMBL7408233 0.82 F2 (0.55) F2F10PLAUPRSS1PLG
SCHEMBL7399252 0.79 F10 (0.52) F2F10PLAUPRSS1PLG
SCHEMBL27965643 0.79 RAB9A (0.65) F7
SCHEMBL30882746 0.78 F2 (0.54) F2F10PLAUPRSS1PLG

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