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SCHEMBL13364569

SCHEMBL13364569

Cc1cccc2c1C(C)(C)c1ccccc1N2c1ccc2c(c1)C(C)(C)c1cc(/C=C/c3ccc4c(c3)C(C)(C)c3cc(-c5ccc(N6c7ccccc7C(C)(C)c7ccccc76)cc5)ccc3-4)ccc1-2

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NR1H3 Q13133 1/20 0.33
▸ PDK2 Q15119 4/20 0.31
▸ KDM4E B2RXH2 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ GLA P06280 1/20 0.30
▸ GAA P10253 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ THRB P10828 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ RECQL P46063 1/20 0.30
▸ TDP1 Q9NUW8 1/20 0.30
▸ PGR P06401 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
SCHEMBL13365733 0.88 PDK2 (0.38) NR1H3PDK2LMNAMAPTTHRB
SCHEMBL13365735 0.86 PDK2 (0.35) NR1H3PDK2MAPTHTTPGR
SCHEMBL13365656 0.84 PDK2 (0.40) NR1H3PDK2LMNAMAPTTHRB
SCHEMBL13365667 0.83 NR1H3 (0.36) NR1H3PDK2MAPTTHRBHTT
SCHEMBL15046405 0.83 PDK2 (0.38) NR1H3PDK2MAPTTHRBRECQL
SCHEMBL2604409 0.81 PDK2 (0.37) PDK2PGR
SCHEMBL22600796 0.81 PDK2 (0.38) PDK2PGR
SCHEMBL15046263 0.80 PDK2 (0.36) NR1H3PDK2MAPTPGR
SCHEMBL15046319 0.80 PDK2 (0.35) NR1H3PDK2PGR
SCHEMBL15046403 0.79 PGR (0.39) NR1H3PDK2MAPTPGR

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
EP-2182038-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same Gracel Display Inc. (KR) 2010-05-05 — — EP disclosed
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