SCHEMBL6556822

SCHEMBL6556822

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.41
TDP1 Q9NUW8 3/20 0.41
MAPK1 P28482 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
PHLPP2 Q6ZVD8 1/20 0.41
ALDH1A1 P00352 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
LMNA P02545 2/20 0.40
GAA P10253 1/20 0.40
HTT P42858 1/20 0.40
POLB P06746 2/20 0.39
MMP14 P50281 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
MCL1 Q07820 1/20 0.38

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
SCHEMBL6556763 0.97 MAPT (0.47) MAPTTDP1MAPK1L3MBTL1CYP1A2
SCHEMBL6556896 0.93 MAPT (0.40) MAPTTDP1MAPK1L3MBTL1CYP1A2
SCHEMBL6556805 0.85 MAPT (0.43) MAPTTDP1MAPK1L3MBTL1CYP1A2
SCHEMBL6557168 0.85 ALDH1A1 (0.47) MAPTTDP1MAPK1L3MBTL1CYP1A2
SCHEMBL6557050 0.82 MAPT (0.53) MAPTTDP1MAPK1L3MBTL1CYP1A2
SCHEMBL6556764 0.78 MAPT (0.68) MAPTTDP1MAPK1L3MBTL1CYP1A2
SCHEMBL30054040 0.78 MAPT (0.68) MAPTTDP1MAPK1L3MBTL1CYP1A2
SCHEMBL6556773 0.75 MAPT (0.62) MAPTTDP1MAPK1L3MBTL1CYP1A2
SCHEMBL6556699 0.74 MAPT (0.43) MAPTTDP1MAPK1L3MBTL1CYP1A2
SCHEMBL6556887 0.74 MAPT (0.61) MAPTTDP1MAPK1L3MBTL1CYP1A2

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