SCHEMBL6558646

SCHEMBL6558646

CN(C)c1ccc(C(c2ccc(N(C)C)cc2)c2ccc(Cl)c([N+](=O)[O-])c2)cc1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.60
MAPK1 P28482 2/20 0.60
CYP1A2 P05177 1/20 0.60
CYP3A4 P08684 1/20 0.60
TSHR P16473 1/20 0.60
PHLPP2 Q6ZVD8 1/20 0.60
TDP1 Q9NUW8 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
VCAM1 P19320 13/20 0.49
ALDH1A1 P00352 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
SLC2A1 P11166 1/20 0.41
GRM8 O00222 1/20 0.41
GRM6 O15303 1/20 0.41
GRM4 Q14833 1/20 0.41

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
SCHEMBL7973695 0.82 MAPT (0.61) MAPTMAPK1VCAM1ALDH1A1MEN1
Hydrochloric Acid SCHEMBL30729425 0.81 MAPT (0.59) MAPTMAPK1VCAM1ALDH1A1MEN1
SCHEMBL6556764 0.78 MAPT (0.68) MAPTMAPK1CYP1A2CYP3A4TSHR
SCHEMBL30054040 0.78 MAPT (0.68) MAPTMAPK1CYP1A2CYP3A4TSHR
SCHEMBL6558956 0.77 MAPT (0.54) MAPTMAPK1CYP1A2CYP3A4TSHR
SCHEMBL7542108 0.77 VCAM1 (0.64) VCAM1ALDH1A1
SCHEMBL9886771 0.76 VCAM1 (0.55) MAPTMAPK1CYP1A2CYP3A4TDP1
SCHEMBL6558976 0.76 MAPT (1.00) MAPTMAPK1CYP1A2CYP3A4TSHR
SCHEMBL6556773 0.75 MAPT (0.62) MAPTMAPK1CYP1A2CYP3A4TSHR
SCHEMBL6556688 0.75 MAPT (0.71) MAPTMAPK1CYP1A2CYP3A4TSHR

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 2 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
US-6166013-A Glucocortiocoid-selective agents ABBOTT LABORATORIES (US) 2000-12-26 US disclosed