SCHEMBL7409134

SCHEMBL7409134

N=C(N)c1ccc2[nH]c(C(c3ccccc3)c3nc4ccccc4[nH]3)nc2c1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
F2 P00734 7/20 0.55
F10 P00742 5/20 0.55
F7 P08709 3/20 0.55
PLAU P00749 3/20 0.48
PRSS1 P07477 3/20 0.48
IDO1 P14902 1/20 0.46
KLK1 P06870 1/20 0.44
KLK5 Q9Y337 1/20 0.44
PLG P00747 2/20 0.43
PRSS2 P07478 2/20 0.43
PRSS3 P35030 2/20 0.43
PLAT P00750 1/20 0.43
HPN P05981 1/20 0.43
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.42
TPSAB1 Q15661 1/20 0.42

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
SCHEMBL7405212 0.92 F2 (0.52) F2F10F7PLAUPRSS1
SCHEMBL7403000 0.85 F10 (0.58) F2F10F7PLAUPRSS1
SCHEMBL7405163 0.83 F2 (0.53) F2F10F7PLAUPRSS1
SCHEMBL7406501 0.83 F2 (0.53) F2F10F7PLAUPRSS1
SCHEMBL7397941 0.80 F7 (0.50) F2F10F7PLAUPRSS1
SCHEMBL23793907 0.80 F2 (0.83) F2F10F7PLAUPRSS1
SCHEMBL7410068 0.79 F2 (0.49) F2F10F7PLAUPRSS1
SCHEMBL7403653 0.79 F2 (0.49) F2F10F7PLAUPRSS1
SCHEMBL7408037 0.79 F2 (0.44) F2F10F7PLAUPRSS1
SCHEMBL7405066 0.78 F2 (0.48) 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