SCHEMBL17667948

SCHEMBL17667948

COc1cc(OC(=O)c2cccnc2C)ccc1-c1ccc2c(c1C(N)c1ccccc1OC)C(C)=CC(C)(C)N2

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.44
LMNA P02545 5/20 0.44
NPSR1 Q6W5P4 4/20 0.44
HTT P42858 3/20 0.44
TP53 P04637 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
HSD17B10 Q99714 1/20 0.44
NR3C1 P04150 14/20 0.39
NR3C2 P08235 2/20 0.39
AR P10275 2/20 0.39
PGR P06401 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
ALDH1A1 P00352 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
KDM4E B2RXH2 1/20 0.37
HPGD P15428 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
SCHEMBL1314927 0.91 MAPT (0.42) MAPTLMNANPSR1HTTTP53
SCHEMBL1780352 0.88 MAPT (0.41) MAPTLMNANPSR1HTTTP53
SCHEMBL1780365 0.88 MAPT (0.41) MAPTLMNANPSR1HTTTP53
SCHEMBL1316150 0.87 MAPT (0.49) MAPTLMNANPSR1HTTTP53
SCHEMBL1314233 0.86 LMNA (0.62) MAPTLMNANPSR1HTTTP53
SCHEMBL1314508 0.85 LMNA (0.42) MAPTLMNANPSR1HTTTP53
SCHEMBL1829316 0.84 MAPT (0.44) MAPTLMNANPSR1HTTTP53
SCHEMBL1314852 0.84 MAPT (0.41) MAPTLMNANPSR1HTTTP53
SCHEMBL17667957 0.84 MAPT (0.45) MAPTLMNANPSR1HTTTP53
SCHEMBL1315415 0.83 NR3C1 (0.42) MAPTLMNANPSR1HTTTP53

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-2319835-B1 GLUCOCORTICOID RECEPTOR AGONIST COMPOSED OF 2,2,4-TRIMETHYL-6-PHENYL-1,2-DIHYDROQUINOLINE DERIVATIVE HAVING SUBSTITUTED OXY GROUP AYUMI PHARMACEUTICAL CORP (JP) 2016-04-13 EP claimed