SCHEMBL21376868

SCHEMBL21376868

CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2Br

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1D P28221 3/20 0.45
▸ ALDH1A1 P00352 3/20 0.41
▸ HPGD P15428 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ KIF11 P52732 3/20 0.41
▸ PGR P06401 1/20 0.41
▸ RORA P35398 1/20 0.41
▸ RORC P51449 1/20 0.41
▸ RORB Q92753 1/20 0.41
▸ KCNH2 Q12809 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ RECQL P46063 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ DNMT1 P26358 3/20 0.37
▸ TSHR P16473 1/20 0.37

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
SCHEMBL30624740 1.00 HTR1D (0.45) HTR1DALDH1A1HPGDALOX15HSD17B10
SCHEMBL2604384 0.79 HTR1D (0.50) HTR1DALDH1A1HPGDALOX15HSD17B10
SCHEMBL15887509 0.78 RORA (0.47) HTR1DALDH1A1HPGDALOX15HSD17B10
SCHEMBL24522085 0.77 HTR1D (0.45) HTR1DALDH1A1HPGDALOX15HSD17B10
SCHEMBL19421846 0.77 HTR1D (0.45) HTR1DALDH1A1HPGDALOX15HSD17B10
SCHEMBL22088035 0.77 HTR1D (0.45) HTR1DALDH1A1HPGDALOX15HSD17B10
SCHEMBL17622365 0.77 HTR1D (0.49) HTR1DALDH1A1HPGDALOX15HSD17B10
Benzene SCHEMBL28231296 0.76 HTR1D (0.47) HTR1DALDH1A1HPGDALOX15HSD17B10
SCHEMBL15468973 0.76 HTR1D (0.44) HTR1DALDH1A1HPGDALOX15HSD17B10
SCHEMBL12611168 0.76 HTR1D (0.47) HTR1DALDH1A1HPGDALOX15HSD17B10

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117586311-A Thermal excitation delayed fluorescence compound, and preparation method and application thereof 黑龙江大学 2024-02-23 — — CN claimed
CN-117645633-A Deep blue-near ultraviolet thermal excitation delayed fluorescence compound, and preparation method and application thereof 黑龙江大学 2024-03-05 — — CN disclosed
CN-117586311-A Thermal excitation delayed fluorescence compound, and preparation method and application thereof 黑龙江大学 2024-02-23 — — CN disclosed
CN-108264479-B Organic electroluminescent device 昆山国显光电有限公司 2023-10-27 — — CN disclosed
WO-2019174650-A1 COMPOUND HAVING BENZENE CORE, PREPARATION METHOD THEREFOR AND USES THEREOF ON ORGANIC ELECTROLUMINESCENT DEVICE 江苏三月光电科技有限公司 2019-09-19 — — WO disclosed
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