SCHEMBL7048342

SCHEMBL7048342

CC(C)(C)OC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc2c(N(Cl)C(=N)N)cncc2c1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.41
KEAP1 Q14145 4/20 0.38
NFE2L2 Q16236 4/20 0.38
NR1I2 O75469 1/20 0.35
ALDH1A1 P00352 1/20 0.34
MAPK1 P28482 1/20 0.34
HIF1A Q16665 1/20 0.34
EPAS1 Q99814 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
ESR1 P03372 1/20 0.33
TP53 P04637 2/20 0.33
NR1D1 P20393 1/20 0.33
LMNA P02545 1/20 0.32
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32
GSTO1 P78417 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
SCHEMBL6434466 0.88 NR1D1 (0.35) PLAUNR1D1
SCHEMBL7050063 0.87 PLAU (0.38) PLAUALDH1A1NR1D1LMNA
SCHEMBL7049621 0.87 PLAU (0.42) PLAUALDH1A1SMN1; SMN2NR1D1
Trifluoroacetic Acid SCHEMBL6433676 0.85 PLAU (0.48) PLAUKEAP1NFE2L2L3MBTL1
SCHEMBL6436322 0.83 NR1D1 (0.37) PLAUKEAP1MAPK1SMN1; SMN2NR1D1
SCHEMBL7378426 0.83 PDE4A (0.39) PLAUALDH1A1MAPK1SMN1; SMN2NR1D1
SCHEMBL7377975 0.82 PLAU (0.36) PLAUALDH1A1SMN1; SMN2NR1D1
SCHEMBL7048344 0.82 PLAU (0.42) PLAUNR1I2ALDH1A1MAPK1SMN1; SMN2
SCHEMBL7378340 0.82 PDE4A (0.42) PLAUALDH1A1MAPK1NR1D1LMNA
SCHEMBL7375959 0.81 F2 (0.37) PLAUALDH1A1SMN1; SMN2GSTO1

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 6 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-1242120-A2 COMBINATIONS OF GROWTH FACTORS AND I:UPA OR I:MMP FOR THE TREATMENT OF DAMAGED TISSUE Pfizer Limited (GB) 2002-09-25 EP disclosed
WO-2001049309-A2 COMBINATIONS OF GROWTH FACTORS AND I: UPA OR I: MMP FOR THE TREATMENT OF DAMAGED TISSUE PFIZER LIMITED (GB) 2001-07-12 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