SCHEMBL29625569

SCHEMBL29625569

CC(C)(C)c1ccc2c(c1)c1ccc3ccccc3c1n2-c1cccc(-n2c3ccc(C(C)(C)C)cc3c3ccc4ccccc4c32)c1Br

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 1/20 0.36
▸ RORA P35398 1/20 0.36
▸ RORC P51449 1/20 0.36
▸ RORB Q92753 1/20 0.36
▸ KIF11 P52732 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ MAPK14 Q16539 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ RECQL P46063 1/20 0.33
▸ NR1I2 O75469 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ ADRA2A P08913 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33

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
SCHEMBL29625602 0.96 PGR (0.34) PGRRORARORCRORBKIF11
SCHEMBL29625564 0.94 KIF11 (0.35) PGRRORARORCRORBKIF11
SCHEMBL29625565 0.94 KIF11 (0.35) PGRRORARORCRORBKIF11
SCHEMBL29625575 0.93 TDP1 (0.33) PGRRORARORCRORBKIF11
SCHEMBL29625610 0.86 PGR (0.35) PGRRORARORCRORBKIF11
SCHEMBL27199273 0.83 HTR1D (0.38) PGRRORARORCRORBKIF11
SCHEMBL30803777 0.83 HTR1D (0.38) PGRRORARORCRORBKIF11
SCHEMBL29625625 0.83 KIF11 (0.38) PGRRORARORCRORBKIF11
SCHEMBL29625573 0.82 KIF11 (0.35) PGRRORARORCRORBKIF11
SCHEMBL29625581 0.82 TDP1 (0.42) MEN1POLBKMT2ATDP1KDM4E

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-2022131780-A1 ORGANIC LIGHT-EMITTING COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME 솔루스첨단소재 주식회사 2022-06-23 — — WO disclosed
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