SCHEMBL10353569

SCHEMBL10353569

c1ccc(-c2nc3ccncc3n2-c2ccc(-c3ccc4c(-c5ccc6ccccc6c5)c5ccccc5c(-c5ccc6ccccc6c5)c4c3)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ AOC3 Q16853 13/20 0.48
▸ KCNH2 Q12809 2/20 0.48
▸ MEN1 O00255 1/20 0.46
▸ HSP90AA1 P07900 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ AOC2 O75106 2/20 0.42
▸ ESR1 P03372 1/20 0.40
▸ ESR2 Q92731 1/20 0.40
▸ CYP17A1 P05093 1/20 0.40
▸ CYP19A1 P11511 1/20 0.40
▸ CYP11B1 P15538 1/20 0.40
▸ CYP11B2 P19099 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.39

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
SCHEMBL10354052 0.93 AOC3 (0.53) AOC3KCNH2MEN1HSP90AA1MAPT
SCHEMBL23784958 0.92 MAPT (0.46) AOC3KCNH2MEN1HSP90AA1MAPT
SCHEMBL10353747 0.92 MAPT (0.46) AOC3KCNH2MEN1HSP90AA1MAPT
SCHEMBL22605285 0.89 MEN1 (0.50) AOC3KCNH2MEN1HSP90AA1MAPT
SCHEMBL23784953 0.89 RPS6KA5 (0.44) AOC3KCNH2MEN1HSP90AA1MAPT
SCHEMBL3741033 0.88 ESR1 (0.53) MEN1HSP90AA1MAPTKMT2AESR1
SCHEMBL10353262 0.88 ESR1 (0.53) MEN1HSP90AA1MAPTKMT2AESR1
SCHEMBL23784952 0.88 ESR1 (0.53) MEN1HSP90AA1MAPTKMT2AESR1
SCHEMBL29444815 0.88 ESR1 (0.53) MEN1HSP90AA1MAPTKMT2AESR1
SCHEMBL10353327 0.88 ESR1 (0.53) MEN1HSP90AA1MAPTKMT2AESR1

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-2560220-A1 ORGANIC ELECTROLUMINESCENT ELEMENT Idemitsu Kosan Co., Ltd. (JP) 2013-02-20 — — EP disclosed
US-20120181922-A1 ORGANIC ELECTROLUMINESCENT ELEMENT IDEMITSU KOSAN CO., LTD. (JP) 2012-07-19 — — US disclosed
US-20120181922-A1 ORGANIC ELECTROLUMINESCENT ELEMENT IDEMITSU KOSAN CO., LTD. (JP) 2012-07-19 — — US disclosed
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