SCHEMBL8105545

SCHEMBL8105545

O=c1c2c[c]ccc2oc2ncccc12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.67
KDM4E B2RXH2 5/20 0.67
MAOA P21397 5/20 0.38
HPGD P15428 2/20 0.38
MAPT P10636 2/20 0.38
GLA P06280 1/20 0.38
CYP3A4 P08684 1/20 0.38
PGAM1 P18669 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
NCOA1 Q15788 1/20 0.38
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
NPC1 O15118 3/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
ACHE P22303 2/20 0.32
BCHE P06276 1/20 0.32
RAB9A P51151 2/20 0.31

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
SCHEMBL8113673 0.88 KDM4E (0.67) ALDH1A1KDM4EMAOAHPGDMAPT
SCHEMBL30947375 0.80 KDM4E (1.00) ALDH1A1KDM4EMAOAHPGDMAPT
SCHEMBL2521419 0.80 KDM4E (1.00) ALDH1A1KDM4EMAOAHPGDMAPT
SCHEMBL30863308 0.80 KDM4E (1.00) ALDH1A1KDM4EMAOAHPGDMAPT
SCHEMBL12914543 0.78 KDM4E (0.75) ALDH1A1KDM4EMAOAHPGDMAPT
SCHEMBL3367763 0.77 MAOA (0.67) ALDH1A1KDM4EMAOAHPGDMAPT
SCHEMBL8114558 0.74 ALDH1A1 (0.64) ALDH1A1KDM4EMAOAHPGDMAPT
SCHEMBL8558621 0.73 KDM4E (0.67) ALDH1A1KDM4EMAOAHPGDMAPT
SCHEMBL1794300 0.73 ALDH1A1 (0.67) ALDH1A1KDM4EMAOAHPGDSMN1; SMN2
SCHEMBL11634353 0.72 KDM4E (0.61) ALDH1A1KDM4EMAOANCOA1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0751944-B1 THIAZOLIDINES AND OXAZOLIDINES SUBSTITUTED BY A PYRIDINE RING AND THEIR USE AS HYPOGLYCEMIC AGENTS NISSAN CHEMICAL IND LTD (JP) 2000-12-20 EP claimed
US-5955481-A Pyridine type thiazolidines NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1999-09-21 US claimed
EP-0751944-A1 THIAZOLIDINES AND OXAZOLIDINES SUBSTITUTED BY A PYRIDINE RING AND THEIR USE AS HYPOGLYCEMIC AGENTS NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1997-01-08 EP claimed
WO-1995026347-A1 THIAZOLIDINES AND OXAZOLIDINES SUBSTITUTED BY A PYRIDINE RING AND THEIR USE AS HYPOGLYCEMIC AGENTS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1995-10-05 WO claimed
EP-0751944-B1 THIAZOLIDINES AND OXAZOLIDINES SUBSTITUTED BY A PYRIDINE RING AND THEIR USE AS HYPOGLYCEMIC AGENTS NISSAN CHEMICAL IND LTD (JP) 2000-12-20 EP disclosed
US-5955481-A Pyridine type thiazolidines NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1999-09-21 US disclosed
EP-0751944-A1 THIAZOLIDINES AND OXAZOLIDINES SUBSTITUTED BY A PYRIDINE RING AND THEIR USE AS HYPOGLYCEMIC AGENTS NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1997-01-08 EP disclosed
WO-1996026207-A1 THIAZOLIDINE AND OXAZOLIDINE INDOLES WITH HYPOCLYCEMIC ACTIVITY NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1996-08-29 WO disclosed
WO-1996011196-A1 PYRAZOLYLMETHYL-THIAZOLIDINES USEFUL AS HYPOGLYCEMIC AGENTS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1996-04-18 WO disclosed
WO-1995026347-A1 THIAZOLIDINES AND OXAZOLIDINES SUBSTITUTED BY A PYRIDINE RING AND THEIR USE AS HYPOGLYCEMIC AGENTS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1995-10-05 WO disclosed