SCHEMBL8615517

SCHEMBL8615517

COc1ccc(Cl)c2c(NC(=N)NC=O)cc(-c3ccccc3C)nc12

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.34
MAPT P10636 2/20 0.34
KMT2A Q03164 4/20 0.34
MEN1 O00255 2/20 0.33
PIK3CD O00329 1/20 0.33
ALPL P05186 1/20 0.33
LMNA P02545 1/20 0.33
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
LTB4R Q15722 1/20 0.33
ADORA3 P0DMS8 2/20 0.32
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
AGPAT2 O15120 2/20 0.32
SLC2A1 P11166 1/20 0.32
RAB9A P51151 1/20 0.32
L3MBTL1 Q9Y468 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
SCHEMBL8619171 0.94 MAPT (0.39) ALDH1A1MAPTKMT2AMEN1LMNA
SCHEMBL8620853 0.91 ADORA3 (0.36) ALDH1A1MAPTKMT2AMEN1LMNA
SCHEMBL8615844 0.89 ADORA3 (0.36) ALDH1A1MAPTKMT2AMEN1LMNA
SCHEMBL8618644 0.89 ADORA3 (0.34) ALDH1A1MAPTKMT2AMEN1LTB4R
SCHEMBL8617517 0.89 MAPT (0.34) ALDH1A1MAPTKMT2AMEN1LMNA
SCHEMBL8614891 0.89 NQO2 (0.34) MAPTKMT2AMEN1LMNALTB4R
SCHEMBL8616041 0.87 ALDH1A1 (0.33) ALDH1A1MAPTKMT2AMEN1LTB4R
SCHEMBL8614898 0.87 NQO2 (0.34) MAPTKMT2AMEN1LMNALTB4R
SCHEMBL8618493 0.86 KDM4E (0.38) MAPTLMNAADORA3
SCHEMBL8616647 0.86 KDM4E (0.38) MAPTLMNAADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0726254-B1 Quinoline-4-carbonylguanidine derivates, process for producing the same and pharmaceutical preparations containing the compounds MITSUI TOATSU CHEMICALS (JP) 1998-05-06 EP disclosed
US-5627193-A MEDICAL DIAGNOSIS, CARDIOVASCULAR DIAORDERS AND PROTECTION OF ORGANS FOR TRANSPLANTATION MITSUI TOATSU CHEMICALS, INC. (JP) 1997-05-06 US disclosed
EP-0726254-A1 Quinoline-4-carbonylguanidine derivates, process for producing the same and pharmaceutical preparations containing the compounds MITSUI TOATSU CHEMICALS, Inc. (JP) 1996-08-14 EP disclosed