SCHEMBL6556743

SCHEMBL6556743

CN(C)c1ccccc1C(c1ccccc1)c1ccc([N+](=O)[O-])cc1N(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
L3MBTL1 Q9Y468 4/20 0.46
CYP3A4 P08684 2/20 0.46
CYP1A2 P05177 1/20 0.46
MAPT P10636 1/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
PHLPP2 Q6ZVD8 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
CRHBP P24387 3/20 0.41
CRHR2 Q13324 3/20 0.41
SRC P12931 1/20 0.41
HTT P42858 2/20 0.38
LMNA P02545 1/20 0.38
ACP3 P15309 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
HPGD P15428 1/20 0.38
PTPRC P08575 2/20 0.37
BCHE P06276 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
SCHEMBL6247039 0.79 HTR2A (0.40) ALDH1A1L3MBTL1MAPTTSHRMAPK1
SCHEMBL6557881 0.77 CYP1A2 (0.37) ALDH1A1L3MBTL1CYP3A4CYP1A2MAPT
SCHEMBL6556723 0.76 IDO1 (0.38) ALDH1A1CYP3A4CYP1A2HTTLMNA
SCHEMBL51040 0.74 GPR35 (0.50) ALDH1A1MAPTTSHRMAPK1CRHBP
SCHEMBL6557912 0.73 SLC2A1 (0.41) ALDH1A1CYP1A2TDP1SRCACP3
SCHEMBL30327116 0.73 MAPT (0.59) ALDH1A1L3MBTL1CYP3A4CYP1A2MAPT
SCHEMBL14509976 0.71 OPRM1 (0.43) CYP3A4MAPTTDP1LMNAACP3
SCHEMBL6556887 0.71 MAPT (0.61) ALDH1A1L3MBTL1CYP3A4CYP1A2MAPT
SCHEMBL51363 0.71 GAA (0.53) ALDH1A1MAPTTSHRMAPK1HTT
SCHEMBL11819145 0.70 ALDH1A1 (0.64) ALDH1A1L3MBTL1CYP3A4CYP1A2MAPT

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 7 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
WO-2000006137-A2 GLUCOCORTICOID-SELECTIVE ANTI-INFLAMMATORY AGENTS ABBOTT LABORATORIES (US) 2000-02-10 WO disclosed