SCHEMBL8260286

SCHEMBL8260286

C=C1SC2=C(C(=O)C(=O)c3ccccc32)C1(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
KDM4E B2RXH2 4/20 0.46
MAPT P10636 4/20 0.46
BLM P54132 4/20 0.46
THRB P10828 3/20 0.46
RECQL P46063 3/20 0.46
ALDH1A1 P00352 3/20 0.46
TP53 P04637 3/20 0.46
CYP1A2 P05177 3/20 0.46
CYP3A4 P08684 3/20 0.46
CYP2D6 P10635 3/20 0.46
CYP2C9 P11712 3/20 0.46
ALOX15 P16050 3/20 0.46
CYP2C19 P33261 3/20 0.46
TDP1 Q9NUW8 3/20 0.46
CASP7 P55210 2/20 0.46
CASP1 P29466 1/20 0.46
KMT5A Q9NQR1 1/20 0.46
IDO1 P14902 6/20 0.44

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
SCHEMBL4658410 0.67 MEN1 (0.42) MEN1KMT2AKDM4EMAPTBLM
SCHEMBL5940219 0.67 IDO1 (0.79) MEN1KMT2AKDM4EMAPTBLM
SCHEMBL414700 0.66 S100A4 (0.50) MEN1KMT2AKDM4EMAPTBLM
9,10-Phenanthrenequinone SCHEMBL29384320 0.61 MEN1 (1.00) MEN1KMT2AKDM4EMAPTBLM
9,10-Phenanthrenequinone SCHEMBL31598775 0.61 MEN1 (1.00) MEN1KMT2AKDM4EMAPTBLM
9,10-Phenanthrenequinone SCHEMBL2157215 0.61 MEN1 (1.00) MEN1KMT2AKDM4EMAPTBLM
9,10-Phenanthrenequinone SCHEMBL43050 0.61 MEN1 (1.00) MEN1KMT2AKDM4EMAPTBLM
SCHEMBL939283 0.60 PTPRC (0.63) MEN1KMT2AKDM4EMAPTBLM
SCHEMBL3369923 0.60 PGR (0.43) MEN1KMT2AKDM4EMAPTBLM
SCHEMBL29444283 0.59 CDC25B (0.65) MEN1KMT2AKDM4EMAPTBLM

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
EP-1848432-B1 Pharmaceutical composition for the treatment or prevention of diseases involving obesity, diabetes, metabolic syndrome, neuro-degenerative diseases and mitochondria dysfunction diseases MD BIOALPHA CO LTD (KR) 2013-07-17 EP disclosed
WO-2006088315-A1 PHARMACEUTICAL COMPOSITION FOR THE TREATMENT OR PREVENTION OF DISEASES INVOLVING OBESITY, DIABETES, METABOLIC SYNDROME, NEURO-DEGENERATIVE DISEASES AND MITOCHONDRIA DYSFUNCTION DISEASES MD BIOALPHA CO., LTD. (KR) 2006-08-24 WO disclosed