SCHEMBL7053009

SCHEMBL7053009

CC(C)(C)OC(=O)CN(CC1CCCCC1)S(=O)(=O)c1ccc2c(N(Cl)C(=N)N)cncc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLG P00747 1/20 0.43
PLAU P00749 1/20 0.43
CNR2 P34972 1/20 0.37
HTR2A P28223 4/20 0.34
HTR2C P28335 4/20 0.34
HTR7 P34969 4/20 0.34
PTGES O14684 2/20 0.33
TAS2R14 Q9NYV8 1/20 0.33
S1PR1 P21453 2/20 0.32
MMP3 P08254 1/20 0.32
MAPK1 P28482 1/20 0.32
NR1D1 P20393 2/20 0.31
TRPM8 Q7Z2W7 1/20 0.31
ALDH1A1 P00352 2/20 0.30
PTGER2 P43116 1/20 0.30
HTT P42858 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
PSEN1 P49768 1/20 0.30
PSEN2 P49810 1/20 0.30
APH1B Q8WW43 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
SCHEMBL7369744 0.99 PLG (0.43) PLGPLAUCNR2HTR2AHTR2C
SCHEMBL6434466 0.90 NR1D1 (0.35) PLAUNR1D1
Hydrochloric Acid SCHEMBL6433485 0.87 PLAU (0.54) PLGPLAUHTR2AHTR2CHTR7
SCHEMBL6437765 0.87 PLAU (0.56) PLGPLAUHTR2AHTR2CHTR7
Hydrochloric Acid SCHEMBL6438808 0.86 PLAU (0.55) PLGPLAUHTR2AHTR2CHTR7
SCHEMBL7050063 0.84 PLAU (0.38) PLAUNR1D1ALDH1A1HTTNPSR1
SCHEMBL7377975 0.83 PLAU (0.36) PLAUNR1D1ALDH1A1PTGER2HTT
SCHEMBL7049621 0.83 PLAU (0.42) PLAUTAS2R14NR1D1ALDH1A1
SCHEMBL7053013 0.83 PLG (0.43) PLGPLAUCNR2HTR2AHTR2C
SCHEMBL7369748 0.82 PLG (0.44) PLGPLAUCNR2HTR2AHTR2C

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2003013523-A1 SH3 PROTEIN DOMAINS AND THEIR LIGANDS ADELAIDE RESEARCH & INNOVATION PTY LTD (AU) 2003-02-20 WO claimed
WO-2003013523-A1 SH3 PROTEIN DOMAINS AND THEIR LIGANDS ADELAIDE RESEARCH & INNOVATION PTY LTD (AU) 2003-02-20 WO disclosed
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