SCHEMBL6556896

SCHEMBL6556896

CNc1ccc(C(c2ccc(N(C)CCOC(C)=O)cc2)c2cc([N+](=O)[O-])ccc2Cl)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
MCL1 Q07820 1/20 0.40
GAA P10253 4/20 0.37
ALDH1A1 P00352 4/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
POLB P06746 1/20 0.37
MAPK1 P28482 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
TSHR P16473 1/20 0.37
PHLPP2 Q6ZVD8 1/20 0.37
KMT2A Q03164 5/20 0.36
MEN1 O00255 4/20 0.36
LMNA P02545 2/20 0.36
HTT P42858 1/20 0.36
PKM P14618 1/20 0.36

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 0.93 MAPT (0.41) MAPTSMN1; SMN2RAB9ANPC1MCL1
SCHEMBL6556763 0.91 MAPT (0.47) MAPTSMN1; SMN2RAB9ANPC1MCL1
SCHEMBL6556767 0.81 MAPT (0.57) MAPTSMN1; SMN2RAB9ANPC1MCL1
SCHEMBL6557891 0.80 HSD17B10 (0.56) MAPTSMN1; SMN2RAB9ANPC1MCL1
SCHEMBL6556805 0.79 MAPT (0.43) MAPTSMN1; SMN2RAB9ANPC1MCL1
SCHEMBL6557168 0.79 ALDH1A1 (0.47) MAPTSMN1; SMN2RAB9ANPC1MCL1
SCHEMBL6557050 0.76 MAPT (0.53) MAPTSMN1; SMN2RAB9ANPC1MCL1
SCHEMBL6556733 0.73 GAA (0.43) MAPTSMN1; SMN2RAB9ANPC1MCL1
SCHEMBL30054040 0.73 MAPT (0.68) MAPTSMN1; SMN2RAB9ANPC1MCL1
SCHEMBL6556764 0.73 MAPT (0.68) MAPTSMN1; SMN2RAB9ANPC1MCL1

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