SCHEMBL8617403

SCHEMBL8617403

CCOc1cccc2c(NC(=N)NC=O)cc(-c3ccccc3C)nc12

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.41
MEN1 O00255 4/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PDE10A Q9Y233 2/20 0.39
ATM Q13315 1/20 0.37
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
TP53 P04637 3/20 0.37
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
ADORA2B P29275 1/20 0.36
MAPT P10636 1/20 0.34

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
SCHEMBL8617193 0.92 GAA (0.39) KMT2AL3MBTL1ALDH1A1TP53
SCHEMBL8617850 0.91 S1PR5 (0.37) L3MBTL1
SCHEMBL8613400 0.89 GFER (0.41) KMT2AMEN1PDE10AALDH1A1POLB
SCHEMBL8614073 0.88 S1PR5 (0.37) L3MBTL1ALDH1A1
SCHEMBL8617986 0.88 KDM4E (0.32) KMT2AMEN1L3MBTL1PDE10AALDH1A1
SCHEMBL8620687 0.87 PDE10A (0.45) KMT2AMEN1PDE10AALDH1A1POLB
SCHEMBL8620017 0.87 DHODH (0.37) KMT2AMEN1ALDH1A1TP53ADORA1
SCHEMBL8615146 0.87 ALDH1A1 (0.41) KMT2AMEN1L3MBTL1ALDH1A1
SCHEMBL8618902 0.87 TACR3 (0.32) KMT2AMEN1ADORA2AMAPT
SCHEMBL8620384 0.86 MCHR1 (0.36) KMT2AMEN1L3MBTL1ALDH1A1ADORA1

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