SCHEMBL8908116

SCHEMBL8908116

N=C(N)c1ccc(O)c(Cn2c(-c3ccccc3)c(-c3ccccc3)n(Cc3cc(C(=N)N)ccc3O)c2=O)c1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F10 P00742 11/20 0.49
PLG P00747 2/20 0.43
PROC P04070 2/20 0.43
HPN P05981 1/20 0.41
PRSS1 P07477 5/20 0.41
PRSS2 P07478 1/20 0.41
PRSS3 P35030 1/20 0.41
WDR5 P61964 1/20 0.41
F2 P00734 4/20 0.40
BACE1 P56817 1/20 0.39
PLAT P00750 1/20 0.38
BCL2 P10415 1/20 0.37
MCL1 Q07820 1/20 0.37
PLAU P00749 1/20 0.36

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
SCHEMBL8438856 0.92 F10 (0.49) F10PRSS1PRSS2PRSS3F2
SCHEMBL8909063 0.83 PRSS1 (0.43) F10PLGPRSS1F2PLAT
SCHEMBL7358748 0.80 WDR5 (0.50) F10PRSS1WDR5F2PLAU
SCHEMBL7364511 0.79 F10 (0.57) F10PRSS1PRSS2PRSS3F2
SCHEMBL8908041 0.78 F10 (0.53) F10PRSS1PRSS2PRSS3F2
SCHEMBL7366139 0.78 F10 (0.53) F10PLGPRSS1F2PLAU
SCHEMBL8438863 0.77 F10 (0.48) F10PRSS1PRSS2PRSS3F2
SCHEMBL7360668 0.76 F2 (0.54) F10PLGPRSS1F2PLAU
SCHEMBL8909375 0.74 F10 (0.53) F10PLGPRSS1PRSS2PRSS3
SCHEMBL3347284 0.72 HSP90AA1 (0.54) F10PLGPROCPRSS1PRSS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5612363-A FACTOR XA INHIBITORS BERLEX LABORATORIES, INC. (US) 1997-03-18 US disclosed