SCHEMBL8616012

SCHEMBL8616012

CC(C)Cc1ccccc1-c1cc(NC(=N)NC=O)c2ccccc2n1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.40
ACP1 P24666 3/20 0.38
DHODH Q02127 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ALDH1A1 P00352 1/20 0.36
MOK Q9UQ07 1/20 0.36
GALR3 O60755 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ABCB1 P08183 1/20 0.35
ABCC1 P33527 1/20 0.35
ABCG2 Q9UNQ0 1/20 0.35
CACNA2D1 P54289 1/20 0.35

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
SCHEMBL8616287 0.89 PDE10A (0.49) PDE10AACP1MEN1KMT2AMOK
SCHEMBL8613259 0.87 PDE10A (0.42) PDE10AACP1DHODHMEN1KMT2A
SCHEMBL8614071 0.86 PDE10A (0.40) PDE10AACP1MEN1KMT2AKDM4E
SCHEMBL8614301 0.86 PDE10A (0.42) PDE10AACP1DHODHKDM4EALDH1A1
SCHEMBL8613181 0.84 ACP1 (0.38) PDE10AACP1DHODHMEN1KMT2A
SCHEMBL8619253 0.84 ACP1 (0.37) PDE10AACP1MEN1KMT2AKDM4E
SCHEMBL8618647 0.84 KDM4E (0.41) PDE10AACP1DHODHKDM4EMAPT
SCHEMBL8616655 0.83 KDM4E (0.40) PDE10AACP1DHODHKDM4EMAPT
SCHEMBL8620930 0.83 PDE10A (0.44) PDE10AACP1DHODHMEN1KMT2A
SCHEMBL8615156 0.83 ACP1 (0.37) PDE10AACP1MEN1KMT2AKDM4E

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