SCHEMBL28527010

SCHEMBL28527010

CC1(C)c2c[c]ccc2Sc2ccccc21

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.32
MEN1 O00255 1/20 0.32
CYP1A2 P05177 1/20 0.32
BCHE P06276 1/20 0.32
POLB P06746 1/20 0.32
CYP3A4 P08684 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
ALOX15 P16050 1/20 0.32
ALOX12 P18054 1/20 0.32
CNR1 P21554 1/20 0.32
ACHE P22303 1/20 0.32
PTGS1 P23219 1/20 0.32
SLC6A2 P23975 1/20 0.32
HTR2C P28335 1/20 0.32
PTGS2 P35354 1/20 0.32
SNCA P37840 1/20 0.32
SLC6A3 Q01959 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL798117 0.82 NOX1 (0.44) MAOAMEN1CYP1A2BCHEPOLB
SCHEMBL30928004 0.82 NOX1 (0.44) MAOAMEN1CYP1A2BCHEPOLB
SCHEMBL20816532 0.72 MEN1 (0.33) MAOAMEN1CYP1A2BCHEPOLB
SCHEMBL129912 0.72 MAOA (0.37) MAOAMEN1CYP1A2BCHEPOLB
SCHEMBL134324 0.72 HTR2A (0.38) MEN1MAPTSLC6A2HTR2CKMT2A
SCHEMBL28530375 0.71 HTR2A (0.30) HTR2A
SCHEMBL20582585 0.71 MAOA (0.32) MAOAMEN1CYP1A2BCHEPOLB
SCHEMBL13557556 0.70 DRD2 (0.35) MAOAMEN1CYP1A2BCHEPOLB
SCHEMBL23085145 0.69 NOX1 (0.44) MAOAMEN1CYP1A2BCHEPOLB
SCHEMBL25705058 0.69 MEN1 (0.41) MAOAMEN1CYP1A2BCHEPOLB

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-109265399-B Compound and organic electroluminescent device 石家庄诚志永华显示材料有限公司 2022-05-13 CN disclosed
CN-108821934-B Compound, organic electroluminescent device containing compound and material thereof 石家庄诚志永华显示材料有限公司 2021-12-31 CN disclosed
CN-108586188-B chrysene derivative, material containing chrysene derivative and organic electroluminescent device 石家庄诚志永华显示材料有限公司 2021-06-29 CN disclosed
CN-108440537-B Carbazole derivative, material containing the carbazole derivative, and organic electroluminescent device 石家庄诚志永华显示材料有限公司 2021-04-27 CN disclosed
CN-110003090-B Indene derivative and organic electroluminescent device containing indene derivative 石家庄诚志永华显示材料有限公司 2021-01-08 CN disclosed