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SCHEMBL15048019

SCHEMBL15048019

CC(C)c1cc(N(c2cccc3c(C#N)cccc23)c2cccc3c2oc2ccccc23)c2ccc3c(C(C)C)cc(N(c4ccc(C#N)c5ccccc45)c4cccc5c4oc4ccccc45)c4ccc1c2c34

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ IMPDH2 P12268 1/20 0.30
▸ IMPDH1 P20839 1/20 0.30

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
SCHEMBL4183679 0.99 KDM4E (0.37) KDM4EALDH1A1GAAMAPTIMPDH2
SCHEMBL4079005 0.91 KDM4E (0.32) KDM4EALDH1A1GAAMAPT
SCHEMBL23919538 0.91 LMNA (0.33) KDM4EALDH1A1GAAMAPT
SCHEMBL23849420 0.89 MEN1 (0.33) KDM4EALDH1A1GAAMAPTIMPDH2
SCHEMBL4080112 0.87 ALOX5 (0.35) KDM4EALDH1A1GAAMAPT
SCHEMBL4079155 0.85 ALOX5 (0.31) —
SCHEMBL23849210 0.84 F2RL1 (0.32) —
SCHEMBL18643425 0.84 KDM4E (0.39) KDM4EALDH1A1GAAMAPTIMPDH2
SCHEMBL4078997 0.84 SIGMAR1 (0.34) KDM4EALDH1A1GAA
SCHEMBL24106247 0.83 ALOX5 (0.34) KDM4EALDH1A1GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9166179-B2 Aromatic amine derivative, and organic electroluminescent element comprising the same IDEMITSU KOSAN CO., LTD. (JP) 2015-10-20 — — US disclosed
US-20130153878-A1 AROMATIC AMINE DERIVATIVE, AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2013-06-20 — — US disclosed