SCHEMBL8617062

SCHEMBL8617062

CC(C)C(C)COc1ccc(-c2cc(NC(=N)NC=O)c3ccccc3n2)cc1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.44
LMNA P02545 2/20 0.43
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TP53 P04637 1/20 0.43
ACP1 P24666 8/20 0.42
PLA2G2A P14555 1/20 0.42
ACACA Q13085 1/20 0.41

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
SCHEMBL8616490 0.90 LMNA (0.45) PDE10ALMNAKDM4ENPC1ALDH1A1
SCHEMBL8617940 0.86 PLA2G2A (0.48) PDE10ALMNAKDM4ENPC1ALDH1A1
SCHEMBL8615126 0.86 DHODH (0.47) PDE10AACP1
SCHEMBL8620711 0.84 ACP1 (0.60) LMNAKDM4EALDH1A1HPGDACP1
SCHEMBL8619445 0.84 PLA2G2A (0.46) PDE10ALMNAKDM4ENPC1ALDH1A1
SCHEMBL8615352 0.83 PDE10A (0.52) PDE10ALMNAKDM4ENPC1ALDH1A1
SCHEMBL8616024 0.83 ACP1 (0.46) PDE10ALMNAKDM4ENPC1ALDH1A1
SCHEMBL8618941 0.82 CA2 (0.38) LMNAKDM4EALDH1A1HPGDRAB9A
SCHEMBL8619756 0.82 PLA2G2A (0.54) PDE10ALMNAKDM4ENPC1ALDH1A1
SCHEMBL8617753 0.82 ACP1 (0.51) PDE10ALMNAKDM4ESMN1; SMN2ACP1

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