SCHEMBL6971020

SCHEMBL6971020

Cc1sc(CCl)nc1-c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.56
MEN1 O00255 2/20 0.56
MAPT P10636 2/20 0.56
KMT2A Q03164 2/20 0.56
OPRK1 P41145 1/20 0.56
HSD17B10 Q99714 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
HTR7 P34969 1/20 0.48
ALOX5 P09917 1/20 0.48
MAOA P21397 8/20 0.45
MAOB P27338 8/20 0.45
RARA P10276 2/20 0.45
RARB P10826 2/20 0.45
RARG P13631 2/20 0.45
AR P10275 1/20 0.44
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
GSTO1 P78417 1/20 0.42

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
SCHEMBL2321708 0.82 ALDH1A1 (0.60) ALDH1A1MEN1MAPTKMT2AOPRK1
SCHEMBL12844164 0.81 ALDH1A1 (0.55) ALDH1A1MEN1MAPTKMT2AOPRK1
SCHEMBL14736417 0.79 ALDH1A1 (0.54) ALDH1A1MEN1MAPTKMT2AOPRK1
SCHEMBL12775968 0.79 ALDH1A1 (0.54) ALDH1A1MEN1MAPTKMT2AOPRK1
Hydrochloric Acid SCHEMBL14736655 0.78 ALDH1A1 (0.52) ALDH1A1MEN1MAPTKMT2AOPRK1
SCHEMBL2226979 0.78 ALDH1A1 (0.52) ALDH1A1MEN1MAPTKMT2AOPRK1
SCHEMBL9229324 0.77 ALDH1A1 (0.51) ALDH1A1MEN1MAPTKMT2AOPRK1
SCHEMBL14736416 0.76 ALDH1A1 (0.53) ALDH1A1MEN1MAPTKMT2AOPRK1
Hydrochloric Acid SCHEMBL7490273 0.76 ALDH1A1 (0.50) ALDH1A1MEN1MAPTKMT2AOPRK1
SCHEMBL6810806 0.76 AR (0.51) ALDH1A1MEN1MAPTKMT2AOPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0629624-B1 Tetrazole derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-04-23 EP disclosed
EP-0643050-B1 Oxazolidinedione derivatives and their use as hypoglycemic agent TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2002-04-10 EP disclosed
CN-1068326-C Tetrazole derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2001-07-11 CN disclosed
US-5614544-A HYPOGLYCEMIC AND HYPOLIPIDEMIC AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-03-25 US disclosed
US-5591862-A ANTILIPEMICS, TREATING DIABETES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-01-07 US disclosed
CN-1124246-A Tetrazole derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1996-06-12 CN disclosed
EP-0643050-A1 Oxazolidinedione derivatives and their use as hypoglycemic agent Takeda Chemical Industries, Ltd. (JP) 1995-03-15 EP disclosed
EP-0629624-A1 Tetrazole derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-12-21 EP disclosed