SCHEMBL1829316

SCHEMBL1829316

COc1cc(OC(=O)c2ccc(F)cc2)ccc1-c1ccc2c(c1C(N)c1ccccc1OC)C(C)=CC(C)(C)N2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.44
LMNA P02545 4/20 0.44
HTT P42858 3/20 0.44
NPSR1 Q6W5P4 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 12/20 0.41
PGR P06401 6/20 0.41
AR P10275 3/20 0.41
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41
NR3C2 P08235 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 2/20 0.39
ALDH1A1 P00352 2/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 1/20 0.39
HPGD P15428 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
SCHEMBL1316150 0.91 MAPT (0.49) MAPTLMNAHTTNPSR1TP53
SCHEMBL1780352 0.90 MAPT (0.41) MAPTLMNAHTTNPSR1TP53
SCHEMBL17667957 0.90 MAPT (0.45) MAPTLMNAHTTNPSR1TP53
SCHEMBL1313918 0.88 MAPT (0.42) MAPTLMNAHTTNPSR1TP53
SCHEMBL1314233 0.88 LMNA (0.62) MAPTLMNAHTTNPSR1TP53
SCHEMBL1780365 0.86 MAPT (0.41) MAPTLMNAHTTNPSR1TP53
SCHEMBL1313997 0.86 MAPT (0.46) MAPTLMNAHTTNPSR1TP53
SCHEMBL1315415 0.86 NR3C1 (0.42) MAPTLMNAHTTNPSR1TP53
SCHEMBL1779120 0.86 LMNA (0.44) MAPTLMNAHTTNPSR1TP53
SCHEMBL17667946 0.85 MAPT (0.46) MAPTLMNAHTTNPSR1TP53

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2319835-A1 GLUCOCORTICOID RECEPTOR AGONIST COMPOSED OF 2,2,4-TRIMETHYL-6-PHENYL-1,2-DIHYDROQUINOLINE DERIVATIVE HAVING SUBSTITUTED OXY GROUP Santen Pharmaceutical Co., Ltd (JP) 2011-05-11 EP claimed
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 disclosed
EP-2319835-A1 GLUCOCORTICOID RECEPTOR AGONIST COMPOSED OF 2,2,4-TRIMETHYL-6-PHENYL-1,2-DIHYDROQUINOLINE DERIVATIVE HAVING SUBSTITUTED OXY GROUP Santen Pharmaceutical Co., Ltd (JP) 2011-05-11 EP disclosed