SCHEMBL16424989

SCHEMBL16424989

c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4c4ccc5c(cnn5-c5ccccc5)c43)n2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 P04150 3/20 0.40
▸ KDM4E B2RXH2 2/20 0.38
▸ ATM Q13315 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ PTGS2 P35354 2/20 0.37
▸ KHK P50053 1/20 0.35
▸ PTGER4 P35408 1/20 0.35
▸ PGR P06401 1/20 0.35
▸ PIK3CA P42336 2/20 0.35
▸ MTOR P42345 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ MAPT P10636 2/20 0.34
▸ TP53 P04637 1/20 0.34
▸ CYP17A1 P05093 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ RAC2 P15153 1/20 0.33
▸ RAC3 P60763 1/20 0.33
▸ CDC42 P60953 1/20 0.33

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
SCHEMBL16425016 0.96 NR3C1 (0.40) NR3C1KDM4EATML3MBTL1PTGS2
SCHEMBL15811222 0.92 KDM4E (0.38) NR3C1KDM4EATML3MBTL1PTGS2
SCHEMBL16425018 0.92 NR3C1 (0.38) NR3C1KDM4EATML3MBTL1PTGS2
SCHEMBL19051899 0.90 NR3C1 (0.40) NR3C1KDM4EATML3MBTL1PTGS2
SCHEMBL16425011 0.90 NR3C1 (0.37) NR3C1KDM4EATML3MBTL1PTGS2
SCHEMBL19051857 0.89 RAC2 (0.40) NR3C1KDM4EATML3MBTL1PTGS2
SCHEMBL16918812 0.89 NR3C1 (0.41) NR3C1KDM4EATML3MBTL1PTGS2
SCHEMBL15811233 0.88 RAC2 (0.38) NR3C1KDM4EATML3MBTL1PTGS2
SCHEMBL19051619 0.88 NR3C1 (0.40) NR3C1KDM4EATML3MBTL1PTGS2
SCHEMBL15811054 0.88 NR3C1 (0.42) NR3C1PTGS2KHKPGRPIK3CA

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-2015012528-A2 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME 주식회사 두산 (KR) 2015-01-29 — — WO disclosed
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