SCHEMBL31229511

SCHEMBL31229511

Clc1ccccc1-c1cc(-n2c3ccccc3c3ccccc32)cc2c1oc1ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 4/20 0.46
PIM1 P11309 4/20 0.38
CSNK2A2 P19784 4/20 0.38
CSNK2B P67870 4/20 0.38
PIM3 Q86V86 4/20 0.38
PIM2 Q9P1W9 4/20 0.38
ALOX5 P09917 2/20 0.38
MAPK14 Q16539 1/20 0.37
ATM Q13315 2/20 0.37
KDM4E B2RXH2 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PRKDC P78527 4/20 0.34
PIK3CD O00329 1/20 0.33
PIK3CB P42338 1/20 0.33
CA12 O43570 1/20 0.33
CA9 Q16790 1/20 0.33
CYP1A1 P04798 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP1B1 Q16678 1/20 0.33
TTR P02766 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
SCHEMBL25412131 1.00 AHR (0.46) AHRPIM1CSNK2A2CSNK2BPIM3
SCHEMBL14733738 0.90 KDM4E (0.44) AHRALOX5ATMKDM4EL3MBTL1
SCHEMBL26536780 0.88 ALOX5 (0.50) AHRALOX5ATMKDM4EL3MBTL1
SCHEMBL24041288 0.85 ALOX5 (0.39) AHRALOX5ATMKDM4EL3MBTL1
SCHEMBL23557183 0.85 AHR (0.51) AHRALOX5ATMKDM4EL3MBTL1
SCHEMBL25950305 0.84 AHR (0.50) AHRALOX5ATMKDM4EL3MBTL1
SCHEMBL10092195 0.83 ALOX5 (0.46) AHRALOX5ATMKDM4EL3MBTL1
SCHEMBL24739517 0.82 KDM4E (0.43) AHRALOX5ATMKDM4EL3MBTL1
SCHEMBL12925617 0.82 ALOX5 (0.45) AHRALOX5ATMKDM4EL3MBTL1
SCHEMBL26325928 0.81 AHR (0.36) AHRPIM1CSNK2A2CSNK2BPIM3

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-118647611-A Compound for organic optoelectronic device, organic optoelectronic device and display device 三星SDI株式会社 2024-09-13 CN disclosed