SCHEMBL6558792

SCHEMBL6558792

CN(C)c1ccc([CH]c2cc([N+](=O)[O-])ccc2Cl)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
MCL1 Q07820 1/20 0.50
TDP1 Q9NUW8 3/20 0.48
CYP1A2 P05177 2/20 0.48
CYP3A4 P08684 2/20 0.48
MAPK1 P28482 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
TSHR P16473 1/20 0.48
PHLPP2 Q6ZVD8 1/20 0.48
HSD17B10 Q99714 1/20 0.47
INSR P06213 1/20 0.46
ALDH1A1 P00352 6/20 0.45
LMNA P02545 3/20 0.45
KDM4E B2RXH2 1/20 0.44
CYP2C9 P11712 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43

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
SCHEMBL16141098 0.75 MAPT (0.66) MAPTSMN1; SMN2NPC1RAB9ATDP1
SCHEMBL531105 0.75 MAPT (0.66) MAPTSMN1; SMN2NPC1RAB9ATDP1
SCHEMBL531104 0.75 MAPT (0.66) MAPTSMN1; SMN2NPC1RAB9ATDP1
SCHEMBL30054040 0.74 MAPT (0.68) MAPTSMN1; SMN2NPC1RAB9AMCL1
SCHEMBL6556764 0.74 MAPT (0.68) MAPTSMN1; SMN2NPC1RAB9AMCL1
SCHEMBL218018 0.74 MAPT (0.78) MAPTSMN1; SMN2NPC1RAB9AMCL1
SCHEMBL1405705 0.73 PTGS2 (0.56) MAPTSMN1; SMN2NPC1RAB9ATDP1
SCHEMBL1405711 0.73 PTGS2 (0.56) MAPTSMN1; SMN2NPC1RAB9ATDP1
SCHEMBL6558795 0.73 MAPT (0.49) MAPTSMN1; SMN2NPC1RAB9AMCL1
Dimethylformamide SCHEMBL27570110 0.73 ERN1 (0.54) MAPTTDP1CYP1A2MAPK1HSD17B10

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 1 patent. 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