SCHEMBL6965705

SCHEMBL6965705

N=C(N)Nc1ncc(Cl)c2ccc(S(=O)(=O)NC3(OC(=O)O)CCOCC3)cc12

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PLAU P00749 19/20 0.55
PLG P00747 10/20 0.55
PLAT P00750 6/20 0.47
MMP1 P03956 1/20 0.38
MMP13 P45452 1/20 0.38

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
SCHEMBL6433166 0.86 PLAU (0.73) PLAUPLGPLATMMP1MMP13
Hydrochloric Acid SCHEMBL6432644 0.86 PLAU (0.71) PLAUPLGPLATMMP1MMP13
SCHEMBL6433118 0.84 PLAU (0.59) PLAUPLGPLATMMP1MMP13
SCHEMBL6437186 0.80 PLAU (0.71) PLAUPLGPLAT
SCHEMBL6432884 0.80 PLAU (0.71) PLAUPLGPLAT
Hydrochloric Acid SCHEMBL6436711 0.79 PLAU (0.70) PLAUPLGPLAT
Hydrochloric Acid SCHEMBL6432895 0.79 PLAU (0.70) PLAUPLGPLAT
SCHEMBL7085779 0.79 PLAU (0.72) PLAUPLGPLAT
SCHEMBL6439525 0.79 PLAU (0.76) PLAUPLGPLAT
Hydrochloric Acid SCHEMBL6436566 0.78 PLAU (0.70) PLAUPLGPLAT

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-1077945-B1 ISOQUINOLINES AS UROKINASE INHIBITORS PFIZER (US) 2003-01-08 EP claimed