SCHEMBL28402732

SCHEMBL28402732

Nc1c(-c2ccccc2)c(-c2ccccc2)c(-c2ccccc2)c2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.48
▸ TDP1 Q9NUW8 3/20 0.48
▸ MAPT P10636 3/20 0.48
▸ MAPK1 P28482 2/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ ESR1 P03372 1/20 0.45
▸ ESR2 Q92731 1/20 0.45
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ ALDH1A1 P00352 6/20 0.41
▸ HSD17B10 Q99714 4/20 0.41
▸ LMNA P02545 3/20 0.41
▸ TSHR P16473 2/20 0.41
▸ HPGD P15428 4/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ ACHE P22303 2/20 0.41
▸ GLA P06280 2/20 0.41
▸ CASP1 P29466 2/20 0.41
▸ CASP7 P55210 2/20 0.41
▸ CHRM2 P08172 1/20 0.41

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
SCHEMBL19305695 0.93 KDM4E (0.47) KDM4ETDP1MAPTMAPK1L3MBTL1
SCHEMBL3499851 0.87 KDM4E (0.50) KDM4ETDP1MAPTMAPK1L3MBTL1
SCHEMBL17915422 0.87 KDM4E (0.50) KDM4ETDP1MAPTMAPK1L3MBTL1
SCHEMBL29772246 0.87 ESR1 (0.54) KDM4ETDP1MAPTMAPK1L3MBTL1
SCHEMBL3510428 0.87 ESR1 (0.54) KDM4ETDP1MAPTMAPK1L3MBTL1
SCHEMBL11793107 0.85 KDM4E (0.48) KDM4ETDP1MAPTMAPK1L3MBTL1
SCHEMBL27956950 0.85 KDM4E (0.42) KDM4ETDP1MAPTMAPK1L3MBTL1
SCHEMBL5030574 0.84 HSD17B10 (0.48) KDM4ETDP1MAPTMAPK1L3MBTL1
SCHEMBL2069055 0.84 HSD17B10 (0.48) KDM4ETDP1MAPTMAPK1L3MBTL1
SCHEMBL27651965 0.83 ESR1 (0.43) KDM4ETDP1MAPTMAPK1L3MBTL1

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
CN-111247649-A Heterocyclic compound and organic light-emitting device comprising same 喜星素材株式会社 2020-06-05 — — CN disclosed
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