SCHEMBL23960837

SCHEMBL23960837

CC(C)c1cc(-n2c3ccccc3c3ccccc32)cc(C(C)C)c1-c1ccnc(Cl)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MAPK14 Q16539 1/20 0.34
ADORA2A P29274 2/20 0.34
IDO1 P14902 2/20 0.33
TGFBR1 P36897 2/20 0.33
LMNA P02545 2/20 0.32
ADORA1 P30542 1/20 0.32
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
ROCK2 O75116 1/20 0.31
ROCK1 Q13464 1/20 0.31
HPGD P15428 1/20 0.30
PLK1 P53350 1/20 0.30
TRPA1 O75762 1/20 0.30

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
SCHEMBL23960843 0.76 LMNA (0.41) MAPK14ADORA2AIDO1TGFBR1LMNA
SCHEMBL26264527 0.75 PDE4A (0.41) KDM4ELMNAPDE4APDE4BPDE4C
SCHEMBL3109715 0.75 KDM4E (0.48) KDM4EATML3MBTL1IDO1LMNA
SCHEMBL23960853 0.72 AAK1 (0.38) IDO1
SCHEMBL23960867 0.70 KDM4E (0.47) KDM4EATML3MBTL1HPGD
SCHEMBL15868775 0.69 KDM4E (0.46) KDM4EATML3MBTL1HPGD
SCHEMBL24074648 0.69 KDM4E (0.44) KDM4EATML3MBTL1MAPK14ADORA2A
SCHEMBL20591261 0.69 FABP4 (0.38) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL29477087 0.69 PDE4A (0.39) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL28723743 0.69 PDE4A (0.39) PDE4APDE4BPDE4CPDE4DPDE3B

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
US-20210332290-A1 ORGANIC LIGHT-EMITTING MATERIAL BASED ON A PLATINUM TETRADENTATE ONCN COMPLEX, PREPARATION METHOD AND APPLICATION THEREOF IN ORGANIC LIGHT-EMITTING DIODES GUANGDONG AGLAIA OPTOELECTRONIC MATERIALS CO., LTD (CN) 2021-10-28 US disclosed