SCHEMBL19051870

SCHEMBL19051870

c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(-n5c6ccccc6c6cc(-n7ncc8c7ccc7c9ccccc9n(-c9ccccc9)c78)ccc65)cc4)cc3)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAC2 P15153 1/20 0.39
▸ RAC3 P60763 1/20 0.39
▸ CDC42 P60953 1/20 0.39
▸ RAC1 P63000 1/20 0.39
▸ NR3C1 P04150 2/20 0.39
▸ KDM4E B2RXH2 2/20 0.38
▸ ATM Q13315 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ MAPT P10636 3/20 0.33
▸ TP53 P04637 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ CYP17A1 P05093 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ PTGS2 P35354 1/20 0.32
▸ PGR P06401 1/20 0.32
▸ TSPO P30536 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ HPGD P15428 1/20 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
SCHEMBL19052210 0.96 NR3C1 (0.39) RAC2RAC3CDC42RAC1NR3C1
SCHEMBL15811437 0.90 NR3C1 (0.43) NR3C1KDM4EMAPTTP53ALDH1A1
SCHEMBL15811172 0.89 KDM4E (0.41) NR3C1KDM4EATML3MBTL1MAPT
SCHEMBL19052227 0.89 NR3C1 (0.34) RAC2RAC3CDC42RAC1NR3C1
SCHEMBL19051912 0.88 KDM4E (0.35) RAC2RAC3CDC42RAC1NR3C1
SCHEMBL19051899 0.87 NR3C1 (0.40) RAC2RAC3CDC42RAC1NR3C1
SCHEMBL16425027 0.87 KDM4E (0.45) RAC2RAC3CDC42RAC1NR3C1
SCHEMBL16425008 0.86 NR3C1 (0.43) RAC2RAC3CDC42RAC1NR3C1
SCHEMBL19051900 0.86 NR3C1 (0.40) RAC2RAC3CDC42RAC1NR3C1
SCHEMBL19051864 0.85 NR3C1 (0.39) RAC2RAC3CDC42RAC1NR3C1

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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