SCHEMBL8619756

SCHEMBL8619756

CCCCOCCCCCOc1ccc(-c2cc(NC(=N)NC=O)c3ccccc3n2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 2/20 0.54
PDE10A Q9Y233 1/20 0.49
RAB9A P51151 4/20 0.47
KDM4E B2RXH2 4/20 0.47
ALDH1A1 P00352 4/20 0.47
NPC1 O15118 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
LMNA P02545 2/20 0.47
MAPT P10636 2/20 0.47
KMT2A Q03164 2/20 0.47
HSP90AA1 P07900 1/20 0.47
ALOX12 P18054 1/20 0.47
HTT P42858 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
DHODH Q02127 2/20 0.45
HPGD P15428 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
MEN1 O00255 1/20 0.42
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42

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
SCHEMBL8618688 0.99 PLA2G2A (0.53) PLA2G2APDE10ARAB9AKDM4EALDH1A1
SCHEMBL8615352 0.92 PDE10A (0.52) PLA2G2APDE10ARAB9AKDM4EALDH1A1
SCHEMBL8617940 0.86 PLA2G2A (0.48) PLA2G2APDE10ARAB9AKDM4EALDH1A1
SCHEMBL8619445 0.84 PLA2G2A (0.46) PLA2G2APDE10ARAB9AKDM4EALDH1A1
SCHEMBL8616705 0.83 ACP1 (0.44) PLA2G2APDE10ARAB9AKDM4EALDH1A1
SCHEMBL8619676 0.83 PDE10A (0.43) PLA2G2APDE10AKDM4EALDH1A1SMN1; SMN2
SCHEMBL8616024 0.83 ACP1 (0.46) PLA2G2APDE10ARAB9AKDM4EALDH1A1
SCHEMBL8616490 0.83 LMNA (0.45) PLA2G2APDE10ARAB9AKDM4EALDH1A1
SCHEMBL8615840 0.83 CA2 (0.37) PLA2G2ARAB9AKDM4EALDH1A1NPC1
SCHEMBL8620711 0.83 ACP1 (0.60) KDM4EALDH1A1LMNAMAPTHTT

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