SCHEMBL98226

SCHEMBL98226

Cn1c(=O)cc(CC2SC(=O)NC2=O)c2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.46
PPARG P37231 7/20 0.46
KDM4E B2RXH2 1/20 0.46
NQO2 P16083 1/20 0.46
MAOA P21397 2/20 0.45
CISD1 Q9NZ45 2/20 0.45
DDB1 Q16531 1/20 0.43
CRBN Q96SW2 1/20 0.43
FFAR1 O14842 3/20 0.43
MAOB P27338 1/20 0.43
HSD17B10 Q99714 1/20 0.43
ALDH1A1 P00352 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
KCNH2 Q12809 1/20 0.42
MAPT P10636 1/20 0.42
KCNA3 P22001 1/20 0.40
PPARA Q07869 1/20 0.39

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
SCHEMBL97864 0.79 PPARG (0.49) PPARGKDM4EFFAR1HSD17B10ALDH1A1
SCHEMBL97465 0.79 FFAR1 (0.46) PPARGKDM4EFFAR1HSD17B10ALDH1A1
SCHEMBL8685380 0.77 CA2 (0.43) CA2PPARGMAOACISD1FFAR1
SCHEMBL29249872 0.76 KDM4E (0.54) KDM4ENQO2HSD17B10ALDH1A1NPSR1
SCHEMBL31092665 0.76 KDM4E (0.54) KDM4ENQO2HSD17B10ALDH1A1NPSR1
SCHEMBL19719694 0.76 KDM4E (0.61) KDM4ENQO2HSD17B10ALDH1A1MAPT
SCHEMBL13846729 0.75 DDB1 (0.56) CA2PPARGMAOACISD1DDB1
SCHEMBL8809908 0.75 MAPT (0.40) CA2PPARGMAOACISD1FFAR1
SCHEMBL8685503 0.75 HTR6 (0.49) CA2PPARGFFAR1MAOBMAPT
SCHEMBL8809537 0.75 ICMT (0.41) CA2PPARGMAOACISD1FFAR1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2426128-A1 Carbostyril compound Otsuka Pharmaceutical Co., Limited (JP) 2012-03-07 EP claimed