SCHEMBL19051614

SCHEMBL19051614

c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc(-n5ncc6c5ccc5c7ccccc7n(-c7ccccc7)c56)cc43)n2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 P04150 2/20 0.37
▸ MAPT P10636 2/20 0.36
▸ TP53 P04637 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.35
▸ ATM Q13315 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ RAC2 P15153 1/20 0.35
▸ RAC3 P60763 1/20 0.35
▸ CDC42 P60953 1/20 0.35
▸ RAC1 P63000 1/20 0.35
▸ PTGS2 P35354 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ CYP17A1 P05093 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ PIK3CA P42336 2/20 0.33
▸ MTOR P42345 2/20 0.33
▸ PGR P06401 1/20 0.33
▸ GRM1 Q13255 3/20 0.32

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
SCHEMBL19051857 0.96 RAC2 (0.40) NR3C1MAPTTP53KDM4EATM
SCHEMBL19051619 0.95 NR3C1 (0.40) NR3C1MAPTTP53KDM4EATM
SCHEMBL15811233 0.93 RAC2 (0.38) NR3C1MAPTTP53KDM4EATM
SCHEMBL19051897 0.92 MAPT (0.37) NR3C1MAPTTP53KDM4EATM
SCHEMBL16425016 0.92 NR3C1 (0.40) NR3C1MAPTTP53KDM4EATM
SCHEMBL16918812 0.91 NR3C1 (0.41) NR3C1MAPTTP53KDM4EATM
SCHEMBL19051899 0.90 NR3C1 (0.40) NR3C1MAPTTP53KDM4EATM
SCHEMBL15811222 0.90 KDM4E (0.38) NR3C1MAPTTP53KDM4EATM
SCHEMBL19052196 0.90 NR3C1 (0.39) NR3C1MAPTTP53KDM4EATM
SCHEMBL19052206 0.90 NR3C1 (0.37) NR3C1MAPTTP53KDM4EATM

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
WO-2017111360-A1 ORGANIC LIGHT-EMITTING COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME 주식회사 두산 2017-06-29 — — WO disclosed
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