SCHEMBL6971353

SCHEMBL6971353

COc1cc(C=CC=C2NC(=O)SC2=O)ccc1OCc1coc(-c2ccccc2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
CISD1 Q9NZ45 1/20 0.39
APP P05067 2/20 0.38
KDM4E B2RXH2 4/20 0.38
ALDH1A1 P00352 4/20 0.38
HPGD P15428 4/20 0.38
MAPT P10636 2/20 0.38
POLB P06746 1/20 0.38
IGF1R P08069 1/20 0.38
MGAM O43451 1/20 0.37
GAA P10253 1/20 0.37
SI P14410 1/20 0.37
MGAM2 Q2M2H8 1/20 0.37
ENPP2 Q13822 1/20 0.37
CA2 P00918 2/20 0.37
CA5A P35218 2/20 0.37
CA9 Q16790 2/20 0.37
HTT P42858 1/20 0.36
FFAR1 O14842 1/20 0.36

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
SCHEMBL6971349 0.90 MEN1 (0.53) MEN1KMT2ACISD1HPGDIGF1R
SCHEMBL6581254 0.87 ALDH1A1 (0.37) MEN1KMT2AAPPKDM4EALDH1A1
SCHEMBL6960793 0.84 HPGD (0.56) MEN1KMT2ACISD1APPKDM4E
SCHEMBL6581248 0.83 KMT2A (0.39) MEN1KMT2ACISD1APPKDM4E
SCHEMBL6582223 0.83 TRPA1 (0.48) APPKDM4EALDH1A1HPGDMAPT
SCHEMBL6582227 0.83 TRPA1 (0.48) APPKDM4EALDH1A1HPGDMAPT
SCHEMBL6586658 0.79 ALDH1A1 (0.52) MEN1KMT2AALDH1A1HPGDMAPT
SCHEMBL8482890 0.79 CA2 (0.57) KDM4EALDH1A1HPGDCA2CA5A
SCHEMBL8482892 0.79 CA2 (0.57) KDM4EALDH1A1HPGDCA2CA5A
SCHEMBL6583457 0.78 PTGS1 (0.44) APPKDM4EALDH1A1HPGDMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0783496-B9 THIAZOLIDINEDIONE DERIVATIVES, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-09-03 EP disclosed
EP-0783496-B1 THIAZOLIDINEDIONE DERIVATIVES, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-03-26 EP disclosed
US-5965589-A AN ACTIVE MATERIAL HAVING HYPOGLYCEMIC ACTIVITY AND BLOOD LIPID LOWERING ACTIVITY, FOR USE AS AN ANTIDIABETIC AGENT TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-10-12 US disclosed
EP-0783496-A1 THIAZOLIDINEDIONE DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1997-07-16 EP disclosed
WO-1996005186-A1 THIAZOLIDINEDIONE DERIVATIVES, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-02-22 WO disclosed