SCHEMBL3394756

SCHEMBL3394756

N=C(N)c1ccc(CP(=O)(Oc2ccccc2)Oc2ccccc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 5/20 0.63
KLK8 O60259 4/20 0.63
KLK4 Q9Y5K2 4/20 0.63
KLK2 P20151 3/20 0.63
F2 P00734 7/20 0.50
PLG P00747 4/20 0.50
PLAT P00750 3/20 0.50
F10 P00742 4/20 0.48
KLK1 P06870 1/20 0.48
ST14 Q9Y5Y6 3/20 0.45
PRSS1 P07477 2/20 0.45
PRSS2 P07478 2/20 0.45
PRSS3 P35030 2/20 0.45
TMPRSS6 Q8IU80 1/20 0.45
F12 P00748 1/20 0.44
F7 P08709 1/20 0.44
F3 P13726 1/20 0.44
PKM P14618 1/20 0.44
C1S P09871 1/20 0.44
LOXL2 Q9Y4K0 1/20 0.43

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
SCHEMBL563232 0.80 KLK8 (0.63) PLAUKLK8KLK4KLK2
SCHEMBL5901034 0.78 MRGPRX1 (0.48) PLAUKLK8KLK4KLK2F2
SCHEMBL16239049 0.78 KLK8 (0.55) PLAUKLK8KLK4KLK2
SCHEMBL2242403 0.77 PLAU (0.67) PLAUKLK8KLK4KLK2F2
SCHEMBL4231397 0.76 KLK8 (0.59) PLAUKLK8KLK4KLK2
SCHEMBL916422 0.76 KLK8 (0.59) PLAUKLK8KLK4KLK2
SCHEMBL29267239 0.76 KLK8 (0.59) PLAUKLK8KLK4KLK2
SCHEMBL916048 0.74 KLK8 (0.57) PLAUKLK8KLK4KLK2
SCHEMBL28701098 0.74 KLK8 (0.57) PLAUKLK8KLK4KLK2PKM
SCHEMBL6766317 0.72 KLK8 (0.55) PLAUKLK8KLK4KLK2

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
EP-1716160-B1 NOVEL INHIBITORS OF CHYMASE JANSSEN PHARMACEUTICA NV (BE) 2010-12-29 EP disclosed