SCHEMBL8617752

SCHEMBL8617752

CCCC(C)Cc1ccc2c(C(=O)NC(N)=Nc3ccccc3)ccnc2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.38
KDM4E B2RXH2 2/20 0.38
RECQL P46063 2/20 0.38
MAPT P10636 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CTSV O60911 1/20 0.38
CTSL P07711 1/20 0.38
CTSS P25774 1/20 0.38
SCN2A Q99250 1/20 0.36
ADORA2A P29274 1/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
ALDH1A1 P00352 2/20 0.35
NPC1 O15118 1/20 0.35
SCNN1A P37088 1/20 0.35
CCR1 P32246 1/20 0.35
NR3C2 P08235 2/20 0.34
GMNN O75496 1/20 0.34
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 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
SCHEMBL8615309 0.93 RAB9A (0.39) RAB9AKDM4ERECQLMAPTNPSR1
SCHEMBL8619044 0.90 CTSV (0.40) RAB9AKDM4ERECQLMAPTNPSR1
SCHEMBL8614313 0.84 RAB9A (0.39) RAB9AKDM4ERECQLMAPTNPSR1
SCHEMBL8616496 0.80 KDM4E (0.43) RAB9AKDM4ERECQLMAPTNPSR1
SCHEMBL8614056 0.80 KDM4E (0.42) RAB9AKDM4ERECQLMAPTNPSR1
SCHEMBL8617741 0.79 SCN2A (0.44) RAB9AKDM4ERECQLMAPTNPSR1
SCHEMBL8614015 0.79 ADRA2A (0.45) RAB9AKDM4ESCN2AADORA2ASMN1; SMN2
SCHEMBL8616642 0.79 KDM4E (0.54) RAB9AKDM4ERECQLMAPTNPSR1
SCHEMBL8615213 0.78 RAB9A (0.42) RAB9AKDM4ERECQLMAPTNPSR1
SCHEMBL8615943 0.78 RAB9A (0.45) RAB9AKDM4ERECQLMAPTNPSR1

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