SCHEMBL8613259

SCHEMBL8613259

CCCc1ccccc1-c1cc(NC(=N)NC=O)c2ccccc2n1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 2/20 0.42
MOK Q9UQ07 3/20 0.39
ACP1 P24666 3/20 0.39
KDM4E B2RXH2 4/20 0.38
DHODH Q02127 1/20 0.38
ALDH1A1 P00352 4/20 0.37
HPGD P15428 4/20 0.37
GAA P10253 2/20 0.37
TSHR P16473 2/20 0.37
HSD17B10 Q99714 2/20 0.37
GLA P06280 1/20 0.36
MAPK1 P28482 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL8614301 0.95 PDE10A (0.42) PDE10AMOKACP1KDM4EDHODH
SCHEMBL8618647 0.93 KDM4E (0.41) PDE10AMOKACP1KDM4EDHODH
SCHEMBL8616287 0.93 PDE10A (0.49) PDE10AMOKACP1MEN1KMT2A
SCHEMBL8616655 0.92 KDM4E (0.40) PDE10AMOKACP1KDM4EDHODH
SCHEMBL8614071 0.87 PDE10A (0.40) PDE10AMOKACP1KDM4EALDH1A1
SCHEMBL8616012 0.87 PDE10A (0.40) PDE10AMOKACP1KDM4EDHODH
SCHEMBL8620892 0.84 HTT (0.47) ACP1KDM4EALDH1A1HPGDMEN1
SCHEMBL8614063 0.83 PDE10A (0.46) PDE10AACP1KDM4EALDH1A1HPGD
SCHEMBL8615054 0.82 PDE10A (0.55) PDE10AACP1KDM4EALDH1A1HPGD
SCHEMBL8616415 0.82 ACP1 (0.42) PDE10AACP1KDM4EHPGDGAA

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