SCHEMBL6557050

SCHEMBL6557050

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.53
L3MBTL1 Q9Y468 4/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
TSHR P16473 1/20 0.53
MAPK1 P28482 1/20 0.53
PHLPP2 Q6ZVD8 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
ALDH1A1 P00352 4/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
MCL1 Q07820 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
KDM4E B2RXH2 3/20 0.41
HTT P42858 2/20 0.41
CYP2C9 P11712 1/20 0.41
GAA P10253 3/20 0.39
KMT2A Q03164 2/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39

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
SCHEMBL6557168 0.97 ALDH1A1 (0.47) MAPTL3MBTL1CYP1A2CYP3A4TSHR
SCHEMBL6556764 0.88 MAPT (0.68) MAPTL3MBTL1CYP1A2CYP3A4TSHR
SCHEMBL30054040 0.88 MAPT (0.68) MAPTL3MBTL1CYP1A2CYP3A4TSHR
SCHEMBL6556763 0.86 MAPT (0.47) MAPTL3MBTL1CYP1A2CYP3A4TSHR
SCHEMBL6556773 0.85 MAPT (0.62) MAPTL3MBTL1CYP1A2CYP3A4TSHR
SCHEMBL6556887 0.83 MAPT (0.61) MAPTL3MBTL1CYP1A2CYP3A4TSHR
SCHEMBL6556822 0.82 MAPT (0.41) MAPTL3MBTL1CYP1A2CYP3A4TSHR
SCHEMBL6556805 0.82 MAPT (0.43) MAPTL3MBTL1CYP1A2CYP3A4TSHR
SCHEMBL6556817 0.81 MAPT (0.52) MAPTL3MBTL1CYP1A2CYP3A4TSHR
SCHEMBL6556767 0.81 MAPT (0.57) MAPTL3MBTL1CYP1A2CYP3A4TSHR

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