SCHEMBL28637378

SCHEMBL28637378

c1ccc(-n2c(-c3cccc4c3ccc3ccccc34)nc3ccccc32)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.57
MAPK1 P28482 2/20 0.50
HTT P42858 1/20 0.50
ESR2 Q92731 4/20 0.49
ESR1 P03372 3/20 0.49
RAB9A P51151 1/20 0.48
PRKACA P17612 1/20 0.46
RPS6KB1 P23443 1/20 0.46
GSK3B P49841 1/20 0.46
ROCK1 Q13464 1/20 0.46
GSR P00390 1/20 0.42
HPGD P15428 3/20 0.41
GRIA1 P42261 1/20 0.40
CACNG8 Q8WXS5 1/20 0.40
CACNG2 Q9Y698 1/20 0.40
HPRT1 P00492 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
MEN1 O00255 1/20 0.40

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
SCHEMBL9611803 0.93 RECQL (0.61) RECQLMAPK1HTTESR2ESR1
SCHEMBL10019149 0.87 RECQL (0.50) RECQLMAPK1HTTESR2ESR1
SCHEMBL26350677 0.86 RECQL (0.54) RECQLMAPK1HTTESR2ESR1
SCHEMBL18999449 0.85 RECQL (0.61) RECQLMAPK1HTTESR2ESR1
SCHEMBL14644801 0.84 ESR2 (0.56) RECQLMAPK1HTTESR2ESR1
SCHEMBL22963637 0.84 RECQL (0.50) RECQLMAPK1HTTESR2ESR1
SCHEMBL22705795 0.84 RECQL (0.52) RECQLMAPK1HTTESR2ESR1
SCHEMBL26343510 0.83 RECQL (0.54) RECQLMAPK1HTTESR2ESR1
SCHEMBL13085156 0.83 RECQL (0.71) RECQLMAPK1HTTESR2ESR1
SCHEMBL28695006 0.83 RECQL (0.57) RECQLMAPK1HTTESR2ESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113429399-B Pyrene derivative, light-emitting device material and light-emitting device 浙江华显光电科技有限公司 2024-03-26 CN disclosed
CN-113429399-A Pyrene derivative, light emitting device material and light emitting device 浙江华显光电科技有限公司 2021-09-24 CN disclosed