SCHEMBL6097844

SCHEMBL6097844

N=C(N)c1ccc([C@@H](NC(=O)O)P(=O)(Oc2ccccc2)Oc2ccccc2)cc1

nearest known ligand 0.80

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PLAU P00749 5/20 0.72
PLG P00747 4/20 0.72
F2 P00734 3/20 0.72
PLAT P00750 3/20 0.72
KLK8 O60259 3/20 0.72
F10 P00742 3/20 0.72
KLK4 Q9Y5K2 3/20 0.72
KLK1 P06870 3/20 0.51
KLK2 P20151 2/20 0.51
TP53 P04637 1/20 0.49
NPSR1 Q6W5P4 2/20 0.48
MEN1 O00255 1/20 0.48
LMNA P02545 1/20 0.48
RECQL P46063 1/20 0.48
KMT2A Q03164 1/20 0.48
DPP7 Q9UHL4 1/20 0.46
POLB P06746 1/20 0.45
TDP1 Q9NUW8 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
SCHEMBL6842194 1.00 PLAU (0.72) PLAUPLGF2PLATKLK8
SCHEMBL17113986 0.85 PLAU (0.54) PLAUPLGF2PLATKLK8
SCHEMBL4295336 0.84 PLAU (1.00) PLAUPLGF2PLATKLK8
SCHEMBL4297455 0.84 PLAU (1.00) PLAUPLGF2PLATKLK8
SCHEMBL17113963 0.84 KLK1 (0.55) PLAUPLGF2PLATKLK8
Hydrochloric Acid SCHEMBL7390446 0.83 PLAU (0.98) PLAUPLGF2PLATKLK8
SCHEMBL4761286 0.81 PLG (0.62) PLAUPLGF2PLATKLK8
SCHEMBL1363819 0.80 F2 (0.56) PLAUPLGF2PLATKLK8
Trifluoroacetic Acid SCHEMBL17113939 0.79 PLAU (0.53) PLAUPLGF2PLATKLK8
Hydrochloric Acid SCHEMBL7422244 0.79 F2 (0.55) PLAUPLGF2PLATKLK8

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-7109326-B2 Halo-alkoxycarbonyl prodrugs GENENTECH, INC. (US) 2006-09-19 US disclosed