SCHEMBL6556741

SCHEMBL6556741

CN(C)c1ccc(C(c2ccc(N(C)C)cc2)c2cc(NC(=O)c3ccc([N+](=O)[O-])cc3)ccc2Cl)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.59
RAB9A P51151 5/20 0.59
NPC1 O15118 3/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
MCL1 Q07820 1/20 0.59
L3MBTL1 Q9Y468 3/20 0.52
MAPK1 P28482 2/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
TSHR P16473 1/20 0.52
PHLPP2 Q6ZVD8 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
MEN1 O00255 6/20 0.49
KMT2A Q03164 6/20 0.49
ALDH1A1 P00352 3/20 0.48
GFER P55789 1/20 0.48
ATM Q13315 1/20 0.48
BAZ1A Q9NRL2 1/20 0.48
HTT P42858 1/20 0.47
GAA P10253 1/20 0.46

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
SCHEMBL6556759 0.84 TRPV1 (0.52) MAPTRAB9ANPC1SMN1; SMN2MCL1
SCHEMBL6556764 0.82 MAPT (0.68) MAPTRAB9ANPC1SMN1; SMN2MCL1
SCHEMBL30054040 0.82 MAPT (0.68) MAPTRAB9ANPC1SMN1; SMN2MCL1
SCHEMBL6556767 0.82 MAPT (0.57) MAPTRAB9ANPC1SMN1; SMN2MCL1
SCHEMBL31155742 0.81 ATM (0.69) MAPTRAB9ANPC1SMN1; SMN2MCL1
SCHEMBL6556719 0.79 ALDH1A1 (0.47) MAPTRAB9ANPC1SMN1; SMN2MCL1
SCHEMBL6556773 0.79 MAPT (0.62) MAPTRAB9ANPC1SMN1; SMN2MCL1
SCHEMBL6556887 0.78 MAPT (0.61) MAPTRAB9ANPC1SMN1; SMN2MCL1
SCHEMBL6556701 0.77 MAPT (0.43) MAPTRAB9ANPC1SMN1; SMN2MCL1
SCHEMBL7128741 0.77 MAPT (0.82) MAPTRAB9ANPC1SMN1; SMN2MCL1

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