SCHEMBL29625575

SCHEMBL29625575

CC(C)(C)c1ccc2c(c1)c1c3ccccc3ccc1n2-c1cccc(-n2c3ccc(C(C)(C)C)cc3c3ccc4ccccc4c32)c1Br

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.33
▸ PGR P06401 1/20 0.32
▸ RORA P35398 1/20 0.32
▸ RORC P51449 1/20 0.32
▸ RORB Q92753 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ KIF11 P52732 2/20 0.32
▸ CYP19A1 P11511 1/20 0.30
▸ MAPK14 Q16539 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ RECQL P46063 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
SCHEMBL29625610 0.94 PGR (0.35) TDP1PGRRORARORCRORB
SCHEMBL29625569 0.93 PGR (0.36) TDP1PGRRORARORCRORB
SCHEMBL29625602 0.92 PGR (0.34) TDP1PGRRORARORCRORB
SCHEMBL29625565 0.90 KIF11 (0.35) TDP1PGRRORARORCRORB
SCHEMBL29625564 0.90 KIF11 (0.35) TDP1PGRRORARORCRORB
SCHEMBL29625573 0.90 KIF11 (0.35) TDP1PGRRORARORCRORB
SCHEMBL29625566 0.90 KIF11 (0.35) TDP1PGRRORARORCRORB
SCHEMBL29625639 0.85 TDP1 (0.37) TDP1ALDH1A1
SCHEMBL29625563 0.83 TDP1 (0.39) TDP1POLBKDM4EALDH1A1HPGD
SCHEMBL29625612 0.83 KIF11 (0.35) PGRRORARORCRORBMEN1

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
Send feedback