SCHEMBL8614159

SCHEMBL8614159

CCCCCOc1ccccc1-c1cc(NC(=N)NC=O)c2ccccc2n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 2/20 0.45
ACP1 P24666 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ATM Q13315 1/20 0.43
GAA P10253 4/20 0.42
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 2/20 0.42
HPGD P15428 2/20 0.42
TSHR P16473 2/20 0.42
HSD17B10 Q99714 2/20 0.42
GLA P06280 1/20 0.42
MAPK1 P28482 1/20 0.42
TLR8 Q9NR97 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PLA2G2A P14555 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL8619516 0.99 PDE10A (0.44) PDE10AACP1MEN1KMT2AATM
SCHEMBL8613965 0.97 PDE10A (0.46) PDE10AACP1MEN1KMT2AATM
SCHEMBL8619676 0.96 PDE10A (0.43) PDE10AACP1MEN1KMT2AATM
SCHEMBL8614063 0.94 PDE10A (0.46) PDE10AACP1MEN1KMT2AATM
SCHEMBL8615054 0.90 PDE10A (0.55) PDE10AACP1MEN1KMT2AATM
SCHEMBL8620369 0.88 MEN1 (0.43) PDE10AACP1MEN1KMT2AATM
SCHEMBL8614871 0.87 PDE10A (0.43) PDE10AACP1MEN1KMT2AATM
SCHEMBL8615130 0.87 ACP1 (0.45) PDE10AACP1MEN1KMT2AATM
SCHEMBL8614757 0.87 PDE10A (0.44) PDE10AACP1MEN1KMT2AATM
SCHEMBL8620930 0.86 PDE10A (0.44) PDE10AACP1MEN1KMT2AATM

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