SCHEMBL29625625

SCHEMBL29625625

CC(C)(C)c1ccc2c(c1)c1cc3ccccc3cc1n2-c1cccc(-n2c3ccc(C(C)(C)C)cc3c3cc4ccccc4cc32)c1Br

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 2/20 0.38
▸ PGR P06401 1/20 0.35
▸ RORA P35398 1/20 0.35
▸ RORC P51449 1/20 0.35
▸ RORB Q92753 1/20 0.35
▸ DNMT1 P26358 3/20 0.33
▸ HTR1D P28221 1/20 0.33
▸ PPARG P37231 2/20 0.32
▸ ABCG2 Q9UNQ0 1/20 0.32
▸ NR1H3 Q13133 1/20 0.32
▸ METAP2 P50579 1/20 0.31
▸ KCNH2 Q12809 1/20 0.31
▸ MAPK14 Q16539 1/20 0.30
▸ HDAC4 P56524 1/20 0.30
▸ HDAC2 Q92769 1/20 0.30
▸ HDAC8 Q9BY41 1/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ PLA2G1B P04054 1/20 0.30
▸ NFKB1 P19838 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
SCHEMBL29625565 0.91 KIF11 (0.35) KIF11PGRRORARORCRORB
SCHEMBL29625573 0.91 KIF11 (0.35) KIF11PGRRORARORCRORB
SCHEMBL29625566 0.91 KIF11 (0.35) KIF11PGRRORARORCRORB
SCHEMBL29625564 0.91 KIF11 (0.35) KIF11PGRRORARORCRORB
SCHEMBL27199273 0.90 HTR1D (0.38) KIF11PGRRORARORCRORB
SCHEMBL30803777 0.90 HTR1D (0.38) KIF11PGRRORARORCRORB
SCHEMBL29625610 0.84 PGR (0.35) KIF11PGRRORARORCRORB
SCHEMBL29625569 0.83 PGR (0.36) KIF11PGRRORARORCRORB
SCHEMBL29625620 0.82 ALDH1A1 (0.40) HTR1DNPC1ALDH1A1NFKB1RAB9A
SCHEMBL29625622 0.82 ALDH1A1 (0.40) HTR1DNPC1ALDH1A1NFKB1RAB9A

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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