SCHEMBL22088035

SCHEMBL22088035

CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1D P28221 2/20 0.45
▸ KCNH2 Q12809 1/20 0.42
▸ 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 4/20 0.41
▸ PGR P06401 2/20 0.41
▸ RORA P35398 1/20 0.41
▸ RORC P51449 1/20 0.41
▸ RORB Q92753 1/20 0.41
▸ 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
SCHEMBL2604384 0.79 HTR1D (0.50) HTR1DKCNH2ALDH1A1HPGDALOX15
SCHEMBL23869367 0.78 HTR1D (0.42) HTR1DKCNH2ALDH1A1HPGDALOX15
SCHEMBL19421846 0.77 HTR1D (0.45) HTR1DKCNH2ALDH1A1HPGDALOX15
SCHEMBL21376868 0.77 HTR1D (0.45) HTR1DKCNH2ALDH1A1HPGDALOX15
SCHEMBL24522085 0.77 HTR1D (0.45) HTR1DKCNH2ALDH1A1HPGDALOX15
SCHEMBL30624740 0.77 HTR1D (0.45) HTR1DKCNH2ALDH1A1HPGDALOX15
SCHEMBL17622365 0.77 HTR1D (0.49) HTR1DKCNH2ALDH1A1HPGDALOX15
SCHEMBL12611168 0.76 HTR1D (0.47) HTR1DKCNH2ALDH1A1HPGDALOX15
Benzene SCHEMBL28231296 0.76 HTR1D (0.47) HTR1DKCNH2ALDH1A1HPGDALOX15
SCHEMBL15468973 0.76 HTR1D (0.44) HTR1DKCNH2ALDH1A1HPGDALOX15

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-2020113643-A1 BLUE TADF MATERIAL AND PREPARATION METHOD THEREFOR, AND ELECTROLUMINESCENT DEVICE 武汉华星光电半导体显示技术有限公司 2020-06-11 — — WO disclosed
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