SCHEMBL7053013

SCHEMBL7053013

CC(C)(C)OC(=O)CN(CC1CCCCC1)S(=O)(=O)c1ccc2c(NC(N)=NCl)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 0.38
S1PR1 P21453 6/20 0.36
MAPK1 P28482 1/20 0.34
ALDH1A1 P00352 2/20 0.34
HTR2A P28223 2/20 0.34
HTR2C P28335 2/20 0.34
HTR7 P34969 2/20 0.34
THRB P10828 1/20 0.34
HPGD P15428 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HTT P42858 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
MMP3 P08254 1/20 0.33
CTSD P07339 2/20 0.33
PTGES O14684 1/20 0.33
TAS2R14 Q9NYV8 1/20 0.33
S1PR3 Q99500 1/20 0.32
S1PR5 Q9H228 1/20 0.32

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
SCHEMBL7369748 0.99 PLG (0.44) PLGPLAUCNR2S1PR1MAPK1
SCHEMBL7375649 0.90 NR1D1 (0.35) PLGPLAUALDH1A1
Hydrochloric Acid SCHEMBL7370990 0.88 PLAU (0.55) PLGPLAUS1PR1MAPK1ALDH1A1
SCHEMBL7366690 0.88 PLAU (0.56) PLGPLAUS1PR1MAPK1HTR2A
Hydrochloric Acid SCHEMBL7363276 0.87 PLAU (0.55) PLGPLAUS1PR1MAPK1HTR2A
SCHEMBL7050066 0.84 PLAU (0.39) PLAUMAPK1ALDH1A1L3MBTL1HTT
SCHEMBL7049646 0.84 PLAU (0.43) PLAUALDH1A1THRB
SCHEMBL7377977 0.84 PLAU (0.36) PLAUALDH1A1HTTNPSR1
SCHEMBL7053009 0.83 PLG (0.43) PLGPLAUCNR2S1PR1MAPK1
SCHEMBL7369744 0.82 PLG (0.43) PLGPLAUCNR2S1PR1MAPK1

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