SCHEMBL27730641

SCHEMBL27730641

N#Cc1ccc(C2=CC(=O)C=CC2=O)cc1C#N

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 1/20 0.49
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
KDM4E B2RXH2 6/20 0.46
MCL1 Q07820 4/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
MAPT P10636 1/20 0.46
PKM P14618 1/20 0.46
MAPK1 P28482 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
SETD7 Q8WTS6 3/20 0.41
ALDH1A1 P00352 6/20 0.37
LMNA P02545 2/20 0.37
HTT P42858 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
THRB P10828 1/20 0.37
PTPN11 Q06124 1/20 0.37
GAA P10253 3/20 0.36
BACE1 P56817 1/20 0.34

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
SCHEMBL27710270 0.77 HSD17B3 (0.58) HSD17B3MAOAMAOBKDM4EMCL1
SCHEMBL27169536 0.74 HSD17B3 (0.78) HSD17B3MAOAMAOBKDM4EMCL1
SCHEMBL16771978 0.74 TRPV4 (0.52)
SCHEMBL16277098 0.72 ALDH1A1 (0.52) MAOAMAOBKDM4EMAPK1ALDH1A1
SCHEMBL8420988 0.70 ALDH1A1 (0.50) MAOAMAOBKDM4EMCL1MAPK1
SCHEMBL29694584 0.69 MCL1 (0.55) HSD17B3MAOAMAOBKDM4EMCL1
SCHEMBL27485672 0.69 MCL1 (0.55) HSD17B3MAOAMAOBKDM4EMCL1
SCHEMBL2788421 0.68 HSD17B3 (0.61) HSD17B3MAOAMAOBKDM4EMCL1
SCHEMBL25834302 0.67 HSD17B3 (0.67) HSD17B3MAOAMAOBKDM4EMCL1
SCHEMBL6268137 0.67 NPC1 (0.49) HSD17B3MAOAMAOBKDM4EMCL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101219968-A Cyanogens radical containing phenyl-hydrochinone monomer, preparation method and application thereof UNIV JILIN (CN) 2008-07-16 CN claimed
CN-101219968-A Cyanogens radical containing phenyl-hydrochinone monomer, preparation method and application thereof UNIV JILIN (CN) 2008-07-16 CN disclosed