SCHEMBL8615672

SCHEMBL8615672

CCCCCCc1cccc2c(NC(=N)NC=O)cc(-c3ccccc3)nc12

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MOK Q9UQ07 3/20 0.38
ACP1 P24666 1/20 0.38
ADORA1 P30542 3/20 0.38
ACACA Q13085 1/20 0.37
DHODH Q02127 1/20 0.37
SLC2A1 P11166 1/20 0.36
TACR3 P29371 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
PDE10A Q9Y233 1/20 0.36
PLAUR Q03405 1/20 0.35
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35
TRPV1 Q8NER1 1/20 0.35

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
SCHEMBL8620939 0.83 ADORA1 (0.47) ADORA1ADORA3
SCHEMBL8614322 0.83 ACP1 (0.38) MOKACP1ADORA1ACACAADORA3
SCHEMBL8620923 0.83 ALOX5AP (0.38)
SCHEMBL8616655 0.82 KDM4E (0.40) MOKACP1DHODHPDE10A
SCHEMBL8619222 0.82 DHODH (0.45) MOKACP1ADORA1DHODHTACR3
SCHEMBL8615872 0.81 TACR3 (0.38) MOKACP1ADORA1DHODHTACR3
SCHEMBL8617861 0.81 DHODH (0.42) MOKACP1ADORA1DHODHSLC2A1
SCHEMBL8618647 0.81 KDM4E (0.41) MOKACP1DHODHPDE10AMTNR1A
SCHEMBL8613487 0.81 KDM4E (0.44) ACP1PLAURTRPV1
SCHEMBL8620687 0.80 PDE10A (0.45) ACP1ADORA1ACACAPDE10A

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