SCHEMBL7406972

SCHEMBL7406972

N=C(N)c1ccc2[nH]c(C(CCN3C(=O)c4ccccc4C3=O)c3nc4ccccc4[nH]3)nc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 7/20 0.45
F10 P00742 6/20 0.45
F7 P08709 3/20 0.45
PLAU P00749 5/20 0.40
PRSS1 P07477 5/20 0.40
PLG P00747 4/20 0.40
PLAT P00750 3/20 0.40
PRSS2 P07478 3/20 0.40
PRSS3 P35030 3/20 0.40
HPN P05981 2/20 0.40
ALDH1A1 P00352 2/20 0.39
KLK1 P06870 1/20 0.39
KLK5 Q9Y337 1/20 0.39
F9 P00740 1/20 0.39
MMP2 P08253 1/20 0.38
MMP3 P08254 1/20 0.38
MMP9 P14780 1/20 0.38
MMP13 P45452 1/20 0.38
PDE10A Q9Y233 1/20 0.38
KLKB1 P03952 1/20 0.37

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
SCHEMBL7405163 0.82 F2 (0.53) F2F10F7PLAUPRSS1
SCHEMBL7397941 0.79 F7 (0.50) F2F10F7PLAUPRSS1
SCHEMBL7406501 0.78 F2 (0.53) F2F10F7PLAUPRSS1
SCHEMBL7403772 0.77 F10 (0.47) F2F10F7PLAUPRSS1
SCHEMBL7510086 0.77 F10 (0.45) F2F10F7PLAUPRSS1
SCHEMBL7408796 0.76 F2 (0.44) F2F10F7PLAUPRSS1
SCHEMBL7409134 0.75 F2 (0.55) F2F10F7PLAUPRSS1
SCHEMBL7406060 0.75 F10 (0.46) F2F10F7PLAUPRSS1
SCHEMBL7403000 0.75 F10 (0.58) F2F10F7PLAUPRSS1
SCHEMBL7410068 0.74 F2 (0.49) F2F10F7PLAUPRSS1

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
WO-1999026932-A1 BY AMIDINO GROUP SUBSTITUTED HETEROCYCLIC DERIVATIVES AND THEIR USE AS ANTICOAGULANTS AXYS PHARMACEUTICALS, INC. (US) 1999-06-03 WO disclosed