SCHEMBL8615352

SCHEMBL8615352

CCCOCCOc1ccc(-c2cc(NC(=N)NC=O)c3ccccc3n2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.52
PLA2G2A P14555 2/20 0.50
KDM4E B2RXH2 3/20 0.45
ALDH1A1 P00352 3/20 0.45
NPC1 O15118 2/20 0.45
LMNA P02545 2/20 0.45
RAB9A P51151 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
HPGD P15428 1/20 0.45
MAPT P10636 2/20 0.44
HTT P42858 2/20 0.44
KMT2A Q03164 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
HSP90AA1 P07900 1/20 0.44
ALOX12 P18054 1/20 0.44
MEN1 O00255 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
POLB P06746 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
SCHEMBL8619756 0.92 PLA2G2A (0.54) PDE10APLA2G2AKDM4EALDH1A1NPC1
SCHEMBL8618688 0.91 PLA2G2A (0.53) PDE10APLA2G2AKDM4EALDH1A1NPC1
SCHEMBL8619445 0.87 PLA2G2A (0.46) PDE10APLA2G2AKDM4EALDH1A1NPC1
SCHEMBL8617940 0.85 PLA2G2A (0.48) PDE10APLA2G2AKDM4EALDH1A1NPC1
SCHEMBL8616490 0.84 LMNA (0.45) PDE10APLA2G2AKDM4EALDH1A1NPC1
SCHEMBL8616024 0.84 ACP1 (0.46) PDE10APLA2G2AKDM4EALDH1A1NPC1
SCHEMBL8620711 0.83 ACP1 (0.60) KDM4EALDH1A1LMNAHPGDMAPT
SCHEMBL8617062 0.83 PDE10A (0.44) PDE10APLA2G2AKDM4EALDH1A1NPC1
SCHEMBL8617680 0.82 TACR3 (0.35) PDE10APLA2G2AKDM4EALDH1A1LMNA
SCHEMBL8617753 0.81 ACP1 (0.51) PDE10AKDM4ELMNASMN1; SMN2KMT2A

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