SCHEMBL6556763

SCHEMBL6556763

CC(=O)OCCN(C)c1ccc(C(c2ccc(N(C)C)cc2)c2cc([N+](=O)[O-])ccc2Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.47
L3MBTL1 Q9Y468 3/20 0.47
MAPK1 P28482 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
TSHR P16473 1/20 0.47
PHLPP2 Q6ZVD8 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.42
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.42
MCL1 Q07820 1/20 0.42
ALDH1A1 P00352 4/20 0.39
GAA P10253 3/20 0.39
CYP2C9 P11712 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
LMNA P02545 2/20 0.38
HTT P42858 1/20 0.38
POLB P06746 1/20 0.37

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
SCHEMBL6556822 0.97 MAPT (0.41) MAPTL3MBTL1MAPK1CYP1A2CYP3A4
SCHEMBL6556896 0.91 MAPT (0.40) MAPTL3MBTL1MAPK1CYP1A2CYP3A4
SCHEMBL6556805 0.88 MAPT (0.43) MAPTL3MBTL1MAPK1CYP1A2CYP3A4
SCHEMBL6557050 0.86 MAPT (0.53) MAPTL3MBTL1MAPK1CYP1A2CYP3A4
SCHEMBL6556764 0.83 MAPT (0.68) MAPTL3MBTL1MAPK1CYP1A2CYP3A4
SCHEMBL30054040 0.83 MAPT (0.68) MAPTL3MBTL1MAPK1CYP1A2CYP3A4
SCHEMBL6557168 0.82 ALDH1A1 (0.47) MAPTL3MBTL1MAPK1CYP1A2CYP3A4
SCHEMBL6556773 0.80 MAPT (0.62) MAPTL3MBTL1MAPK1CYP1A2CYP3A4
SCHEMBL6556887 0.79 MAPT (0.61) MAPTL3MBTL1MAPK1CYP1A2CYP3A4
SCHEMBL6556817 0.76 MAPT (0.52) MAPTL3MBTL1MAPK1CYP1A2CYP3A4

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-1100483-B1 GLUCOCORTICOID-SELECTIVE ANTI-INFLAMMATORY AGENTS ABBOTT LAB (US) 2004-09-29 EP claimed
JP-2002521430-A 2002-07-16 JP claimed
EP-1100483-A2 GLUCOCORTICOID-SELECTIVE ANTI-INFLAMMATORY AGENTS Abbott Laboratories (US) 2001-05-23 EP claimed
WO-2000006137-A2 GLUCOCORTICOID-SELECTIVE ANTI-INFLAMMATORY AGENTS ABBOTT LABORATORIES (US) 2000-02-10 WO claimed
EP-1100483-B1 GLUCOCORTICOID-SELECTIVE ANTI-INFLAMMATORY AGENTS ABBOTT LAB (US) 2004-09-29 EP disclosed
EP-1100483-A2 GLUCOCORTICOID-SELECTIVE ANTI-INFLAMMATORY AGENTS Abbott Laboratories (US) 2001-05-23 EP disclosed
US-6166013-A Glucocortiocoid-selective agents ABBOTT LABORATORIES (US) 2000-12-26 US disclosed
WO-2000006137-A2 GLUCOCORTICOID-SELECTIVE ANTI-INFLAMMATORY AGENTS ABBOTT LABORATORIES (US) 2000-02-10 WO disclosed