SCHEMBL6972867

SCHEMBL6972867

COc1cc(C=O)ccc1OCc1csc(-c2ccccc2)n1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.64
MAPT P10636 4/20 0.64
KDM4E B2RXH2 3/20 0.64
HPGD P15428 2/20 0.64
SMN1; SMN2 Q16637 3/20 0.52
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
HTT P42858 1/20 0.52
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
FDPS P14324 1/20 0.50
GAA P10253 1/20 0.49
KCNH2 Q12809 1/20 0.48
SCN9A Q15858 1/20 0.48
TTR P02766 1/20 0.47
CYP2C9 P11712 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
TSHR P16473 1/20 0.46

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
SCHEMBL6965864 0.89 ALDH1A1 (0.65) ALDH1A1MAPTKDM4EHPGDSMN1; SMN2
SCHEMBL6965868 0.89 ALDH1A1 (0.65) ALDH1A1MAPTKDM4EHPGDSMN1; SMN2
SCHEMBL8337336 0.85 ALDH1A1 (0.65) ALDH1A1MAPTKDM4EHPGDSMN1; SMN2
SCHEMBL8337333 0.85 ALDH1A1 (0.65) ALDH1A1MAPTKDM4EHPGDSMN1; SMN2
SCHEMBL6961279 0.82 KDM4E (0.81) ALDH1A1MAPTKDM4EHPGDNPC1
SCHEMBL6961283 0.82 KDM4E (0.81) ALDH1A1MAPTKDM4EHPGDNPC1
SCHEMBL8337331 0.80 KDM4E (0.53) ALDH1A1MAPTKDM4EHPGDSMN1; SMN2
SCHEMBL4036753 0.80 ALDH1A1 (0.55) ALDH1A1MAPTKDM4EHPGDSMN1; SMN2
SCHEMBL6960793 0.80 HPGD (0.56) ALDH1A1MAPTKDM4EHPGDSMN1; SMN2
SCHEMBL6960790 0.80 MEN1 (0.58) ALDH1A1MAPTKDM4EHPGDMEN1

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