SCHEMBL7369205

SCHEMBL7369205

CN(C)C(=O)C1(N(CCOC2CCCCO2)S(=O)(=O)c2ccc3c(NC(N)=NCl)cncc3c2)CCCC1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PLAU P00749 2/20 0.36
PLG P00747 1/20 0.36
PLAT P00750 1/20 0.36
ICAM1 P05362 1/20 0.30
SELE P16581 1/20 0.30
KDM4C Q9H3R0 1/20 0.30

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
SCHEMBL7369989 0.93 PLAU (0.40) PLAUPLGPLATICAM1SELE
SCHEMBL6977689 0.85 PLAU (0.36) PLAUPLGPLATICAM1SELE
Hydrochloric Acid SCHEMBL7366996 0.84 PLAU (0.42) PLAUPLGPLAT
SCHEMBL6439004 0.80 PLAU (0.46) PLAUPLGPLATKDM4C
Hydrochloric Acid SCHEMBL7364720 0.78 PLAU (0.41) PLAUPLGPLAT
SCHEMBL7369983 0.78 PLAU (0.40) PLAUPLGPLATICAM1SELE
SCHEMBL6433371 0.77 PLAU (0.34) PLAUPLGPLATICAM1SELE
SCHEMBL7375086 0.74 PLAU (0.44) PLAUPLGPLAT
SCHEMBL7372432 0.74 PLAU (0.54) PLAUPLGPLAT
SCHEMBL6436546 0.72 PLAU (0.51) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1077945-A1 ISOQUINOLINES AS UROKINASE INHIBITORS PFIZER INC. (US) 2001-02-28 EP disclosed
WO-2000005214-A2 ISOQUINOLINES AS UROKINASE INHIBITORS PFIZER INC. (US) 2000-02-03 WO disclosed