SCHEMBL13365733

SCHEMBL13365733

CC1(C)c2cc(/C=C/c3ccc(-c4ccc(N5c6ccccc6C(C)(C)c6ccccc65)cc4)cc3)ccc2-c2ccc(N3c4ccccc4C(C)(C)c4ccccc43)cc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 2/20 0.38
▸ NR1H3 Q13133 6/20 0.36
▸ MAPT P10636 3/20 0.36
▸ APP P05067 2/20 0.36
▸ NR1H2 P55055 3/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ THRB P10828 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ RECQL P46063 1/20 0.32
▸ BLM P54132 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ PGR P06401 4/20 0.31
▸ LMNA P02545 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ RARA P10276 1/20 0.30
▸ RARB P10826 1/20 0.30
▸ RARG P13631 1/20 0.30
▸ RXRA P19793 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
SCHEMBL13365656 0.96 PDK2 (0.40) PDK2NR1H3MAPTAPPNR1H2
SCHEMBL13365735 0.93 PDK2 (0.35) PDK2NR1H3MAPTAPPPGR
SCHEMBL15046405 0.89 PDK2 (0.38) PDK2NR1H3MAPTAPPNR1H2
SCHEMBL13366058 0.89 NR1H3 (0.36) PDK2NR1H3MAPTAPPNR1H2
SCHEMBL13365937 0.89 PDK2 (0.36) PDK2NR1H3MAPTAPPNR1H2
SCHEMBL13364375 0.88 MAPT (0.34) PDK2NR1H3MAPTAPPMEN1
SCHEMBL13364301 0.88 MAPT (0.35) PDK2NR1H3MAPTAPPMEN1
SCHEMBL13364569 0.88 NR1H3 (0.33) PDK2NR1H3MAPTTHRBRECQL
SCHEMBL15046403 0.88 PGR (0.39) PDK2NR1H3MAPTAPPNR1H2
SCHEMBL13364428 0.88 RELA (0.36) PDK2NR1H3MAPTAPPNR1H2

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-2010050781-A1 NOVEL ORGANIC ELECTROLUMINESCENT COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME GRACEL DISPLAY INC. (KR) 2010-05-06 — — WO disclosed
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