SCHEMBL8439296

SCHEMBL8439296

N=C(N)c1cccc(Cn2c(C(=O)O)c(C(=O)O)[nH]c2=O)c1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
F10 P00742 17/20 0.52
F2 P00734 4/20 0.46
PRSS1 P07477 2/20 0.46
PRSS2 P07478 2/20 0.46
PRSS3 P35030 2/20 0.46
LOXL2 Q9Y4K0 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
SCHEMBL8442698 0.85 F10 (0.49) F10F2PRSS1PRSS2PRSS3
SCHEMBL8908070 0.83 F10 (0.57) F10F2PRSS1PRSS2PRSS3
SCHEMBL8439295 0.77 FOLH1 (0.38)
SCHEMBL8909339 0.76 F10 (0.50) F10F2PRSS1PRSS2PRSS3
SCHEMBL8696206 0.75 F10 (0.54) F10F2
SCHEMBL8441533 0.72 F10 (0.64) F10F2PRSS1PRSS2PRSS3
SCHEMBL8442920 0.72 F10 (0.57) F10F2PRSS1PRSS2PRSS3
SCHEMBL7364511 0.72 F10 (0.57) F10F2PRSS1PRSS2PRSS3
SCHEMBL6432819 0.71 F10 (0.84) F10F2
SCHEMBL8442914 0.70 F10 (0.52) F10F2PRSS1PRSS2PRSS3

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5863914-A ADMINISTERING TO HUMAN N,N-DIMETHYLBENZENE OR N,N-DIMETHYLNAPHTHALENE-CYCLIC UREA DERIVATIVE TO TREAT A DISEASE-STATE CAUSED BY INHIBITION OF FACTOR XA MOHAN RAJU (US) 1999-01-26 US disclosed
US-5859005-A INHIBITORS OF THROMBIN AND FACTOR XA BERLEX LABORATORIES, INC. (US) 1999-01-12 US disclosed
US-5731308-A N,N-di(aryl) cyclic urea derivatives as anti-coagulants BERLEX LABORATORIES, INC. (US) 1998-03-24 US disclosed
US-5731311-A N,N-di(aryl) cyclic urea derivatives as anti-coagulants BERLEX LABORATORIES, INC. (US) 1998-03-24 US disclosed
US-5728697-A INHIBITORS OF FACTOR X BERLEX LABORATORIES, INC. (US) 1998-03-17 US disclosed
US-5726173-A ANTICOAGULANTS BERLEX LABORATORIES, INC. (US) 1998-03-10 US disclosed
US-5726198-A FOR INHIBITING COAGULATION ENZYMES BERLEX LABORATORIES, INC. (US) 1998-03-10 US disclosed