SCHEMBL8616642

SCHEMBL8616642

CCc1ccc2nccc(C(=O)NC(N)=Nc3ccccc3)c2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.54
RAB9A P51151 3/20 0.54
RECQL P46063 2/20 0.54
MAPT P10636 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
SCN2A Q99250 1/20 0.40
ADORA2A P29274 1/20 0.39
SMN1; SMN2 Q16637 5/20 0.39
ALDH1A1 P00352 4/20 0.39
NPC1 O15118 1/20 0.39
SCNN1A P37088 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HTT P42858 1/20 0.39
RAD52 P43351 1/20 0.39
TP53 P04637 1/20 0.39
KIT P10721 1/20 0.39
CDK8 P49336 1/20 0.39
ACVR1 Q04771 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39

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
SCHEMBL8616496 0.87 KDM4E (0.43) KDM4ERAB9ARECQLMAPTNPSR1
SCHEMBL8614056 0.86 KDM4E (0.42) KDM4ERAB9ARECQLMAPTNPSR1
SCHEMBL8613854 0.86 SCN2A (0.44) KDM4ERAB9ARECQLMAPTNPSR1
SCHEMBL8615891 0.85 KDM4E (0.46) KDM4EMAPTNPSR1SCN2ASMN1; SMN2
SCHEMBL8617935 0.85 RAB9A (0.41) KDM4ERAB9ARECQLMAPTNPSR1
SCHEMBL8617525 0.84 RAB9A (0.45) KDM4ERAB9ARECQLMAPTNPSR1
SCHEMBL8615687 0.84 RAB9A (0.42) KDM4ERAB9ARECQLMAPTNPSR1
SCHEMBL8614840 0.84 RAB9A (0.41) KDM4ERAB9ARECQLMAPTNPSR1
SCHEMBL8615499 0.84 ALDH1A1 (0.41) KDM4ERAB9ARECQLMAPTADORA2A
SCHEMBL8617818 0.84 SMN1; SMN2 (0.46) KDM4ERAB9ARECQLMAPTNPSR1

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