SCHEMBL7878712

SCHEMBL7878712

CCOC(=O)c1nc(C)n(Cc2ccccc2)c1C(=O)OCC

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.58
CYP19A1 P11511 4/20 0.53
ALDH1A1 P00352 6/20 0.52
MAPK1 P28482 2/20 0.52
KDM4E B2RXH2 2/20 0.52
HPGD P15428 2/20 0.52
HSD17B10 Q99714 2/20 0.52
GAA P10253 2/20 0.52
CASP1 P29466 1/20 0.52
CASP7 P55210 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
LMNA P02545 3/20 0.50
MAPT P10636 3/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
POLB P06746 2/20 0.48
ATM Q13315 1/20 0.48
TDP1 Q9NUW8 1/20 0.48

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
SCHEMBL15987314 0.89 TSHR (0.61) TSHRCYP19A1ALDH1A1MAPK1KDM4E
SCHEMBL7878433 0.86 CYP19A1 (0.54) TSHRCYP19A1ALDH1A1MAPK1KDM4E
SCHEMBL28557478 0.86 ALDH1A1 (0.59) TSHRCYP19A1ALDH1A1MAPK1KDM4E
SCHEMBL8861035 0.86 TSHR (0.55) TSHRCYP19A1ALDH1A1MAPK1KDM4E
SCHEMBL7878581 0.84 CYP19A1 (0.52) TSHRCYP19A1ALDH1A1MAPK1KDM4E
SCHEMBL7886357 0.83 CYP19A1 (0.51) TSHRCYP19A1ALDH1A1MAPK1KDM4E
SCHEMBL7886492 0.82 LMNA (0.69) ALDH1A1GAAL3MBTL1LMNAMAPT
SCHEMBL7885255 0.82 CYP19A1 (0.50) TSHRCYP19A1ALDH1A1MAPK1KDM4E
SCHEMBL7878415 0.82 TSHR (0.48) TSHRCYP19A1ALDH1A1MAPK1KDM4E
SCHEMBL28800146 0.82 CYP19A1 (0.49) TSHRCYP19A1ALDH1A1MAPK1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0573218-B1 4-Carboxyimidazoles as angiotensin II antagonists and their thrapeutic use SANKYO CO (JP) 2001-03-07 EP disclosed
US-5646171-A HYPOTENSIVE AGENTS SANKYO COMPANY, LIMITED (JP) 1997-07-08 US disclosed
US-5616599-A HYPOTENSIVE AGENTS FOR CARDIOVASCULAR DISORDER SANKYO COMPANY, LIMITED (JP) 1997-04-01 US disclosed
EP-0573218-A2 4-Carboxyimidazoles as angiotensin II antagonists and their thrapeutic use SANKYO COMPANY LIMITED (JP) 1993-12-08 EP disclosed