SCHEMBL8620384

SCHEMBL8620384

CCCC(C)Oc1cccc2c(NC(=N)NC=O)cc(-c3ccccc3C)nc12

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.36
DHODH Q02127 10/20 0.34
ADORA3 P0DMS8 1/20 0.33
ADORA1 P30542 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA2 P47869 1/20 0.32
KDM4E B2RXH2 2/20 0.32
KMT2A Q03164 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL8620017 0.93 DHODH (0.37) MCHR1DHODHADORA3ADORA1SLC6A2
SCHEMBL8617986 0.88 KDM4E (0.32) ADORA3ADORA1GABRG2GABRB3GABRA2
SCHEMBL8617403 0.86 KMT2A (0.41) ADORA1KMT2AL3MBTL1MEN1ALDH1A1
SCHEMBL8617193 0.85 GAA (0.39) SLC6A4KDM4EKMT2AL3MBTL1ALDH1A1
SCHEMBL8613400 0.85 GFER (0.41) KDM4EKMT2AMEN1ALDH1A1HPGD
SCHEMBL8617850 0.84 S1PR5 (0.37) SLC6A4L3MBTL1HPGD
SCHEMBL8614870 0.84 ACP1 (0.41) ADORA3ADORA1KDM4EKMT2AMEN1
SCHEMBL8620190 0.83 MEN1 (0.33) KDM4EKMT2AMEN1ALDH1A1HPGD
SCHEMBL8615146 0.82 ALDH1A1 (0.41) SLC6A4KDM4EKMT2AL3MBTL1MEN1
SCHEMBL8618902 0.82 TACR3 (0.32) GABRG2GABRB3GABRA2KMT2AMEN1

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