SCHEMBL8613469

SCHEMBL8613469

CS(=O)(=O)Nc1cccc2c(C(=O)O)cc(-c3ccccc3)nc12

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 2/20 0.59
KDM4E B2RXH2 3/20 0.53
LMNA P02545 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
PPARA Q07869 1/20 0.53
HTT P42858 1/20 0.52
DHODH Q02127 1/20 0.51
MMP2 P08253 1/20 0.50
MEN1 O00255 1/20 0.49
GFER P55789 1/20 0.49
KMT2A Q03164 1/20 0.49
AURKA O14965 1/20 0.48
ALDH1A1 P00352 1/20 0.48
HSD17B10 Q99714 1/20 0.48
MCL1 Q07820 1/20 0.47

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
SCHEMBL8619418 0.86 CCR6 (0.68) PDE10AKDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL8619721 0.85 MEN1 (0.45) PDE10AKDM4EMMP2MEN1GFER
SCHEMBL8614378 0.84 MEN1 (0.44) PDE10AKDM4ELMNAMMP2MEN1
SCHEMBL8618698 0.82 PDE10A (0.62) PDE10AKDM4ELMNASMN1; SMN2PPARA
SCHEMBL11810641 0.81 PDE10A (0.70) PDE10AKDM4ELMNASMN1; SMN2PPARA
SCHEMBL6429299 0.78 KDM4E (0.80) PDE10AKDM4ELMNASMN1; SMN2PPARA
SCHEMBL8619728 0.77 KEAP1 (0.43) KDM4ELMNAHTTMMP2ALDH1A1
SCHEMBL13958056 0.76 CCR6 (0.68) PDE10AKDM4ELMNASMN1; SMN2PPARA
SCHEMBL22471898 0.75 AURKA (0.78) PDE10AKDM4ELMNASMN1; SMN2PPARA
SCHEMBL8619739 0.75 PPARA (0.69) PDE10AKDM4ELMNASMN1; SMN2PPARA

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