SCHEMBL30005857

SCHEMBL30005857

Brc1ccc2c(c1)Oc1cccc3cccc-2c13

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 4/20 0.65
ATM Q13315 2/20 0.65
KDM4E B2RXH2 1/20 0.65
TYMS P04818 2/20 0.50
AHR P35869 3/20 0.48
ALDH1A1 P00352 3/20 0.38
TSHR P16473 2/20 0.38
HSD17B10 Q99714 2/20 0.38
CASP1 P29466 2/20 0.38
CASP7 P55210 2/20 0.38
TP53 P04637 1/20 0.38
HPGD P15428 1/20 0.38
HIF1A Q16665 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP2A6 P11509 1/20 0.35
PTPRC P08575 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL17283689 1.00 MAPK1 (0.65) MAPK1ATMKDM4ETYMSAHR
SCHEMBL17283782 0.87 MAPK1 (0.57) MAPK1ATMKDM4ETYMSAHR
SCHEMBL17283693 0.86 MAPK1 (0.65) MAPK1ATMKDM4ETYMSAHR
SCHEMBL17283705 0.83 MAPK1 (0.56) MAPK1ATMKDM4ETYMSAHR
SCHEMBL19665992 0.83 KDM4E (0.44) MAPK1ATMKDM4ETYMSAHR
SCHEMBL24277782 0.80 AHR (0.70) MAPK1ATMKDM4ETYMSAHR
SCHEMBL17727980 0.80 AHR (0.46) MAPK1ATMKDM4EAHRALDH1A1
SCHEMBL17283694 0.79 MAPK1 (0.65) MAPK1ATMKDM4ETYMSALDH1A1
SCHEMBL16376429 0.79 MAPK1 (0.65) MAPK1ATMKDM4ETYMSALDH1A1
SCHEMBL16376428 0.79 MAPK1 (0.65) MAPK1ATMKDM4ETYMSALDH1A1

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-115340534-B Compound and organic electroluminescent device, display device 阜阳欣奕华材料科技有限公司 2024-07-23 CN disclosed
CN-115215842-B Compound and organic electroluminescent device, display device 阜阳欣奕华材料科技有限公司 2024-07-02 CN disclosed
CN-110198936-B Carbazole derivative 默克专利有限公司 2024-03-12 CN disclosed
CN-115340534-A Compound, organic electroluminescent device and display device 阜阳欣奕华材料科技有限公司 2022-11-15 CN disclosed
CN-115215842-A Compound, organic electroluminescent device and display device 阜阳欣奕华材料科技有限公司 2022-10-21 CN disclosed