SCHEMBL9613124

SCHEMBL9613124

c1ccc(-c2ccc(-c3ccc(-c4c5ccccc5c(-c5cccc6c(C7CCCCC7)cccc56)c5ccccc45)cc3)cn2)cc1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CAMKK1 Q8N5S9 5/20 0.37
CAMKK2 Q96RR4 5/20 0.37
SGK1 O00141 1/20 0.37
AURKA O14965 1/20 0.37
SGK3 Q96BR1 1/20 0.37
SGK2 Q9HBY8 1/20 0.37
DHODH Q02127 1/20 0.35
FEN1 P39748 5/20 0.35
ALOX5AP P20292 4/20 0.35
PTGS2 P35354 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA2B P29275 1/20 0.35
ADORA1 P30542 1/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNA3 P32297 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PTPN5 P54829 1/20 0.34

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
SCHEMBL9613132 0.97 FEN1 (0.38) CAMKK1CAMKK2SGK1AURKASGK3
SCHEMBL9613158 0.85 FEN1 (0.35) CAMKK1CAMKK2SGK1AURKASGK3
SCHEMBL9613139 0.77 CYP11B1 (0.39) DHODHFEN1ALOX5AP
SCHEMBL9612965 0.76 PDK2 (0.37) CAMKK1CAMKK2SGK1AURKASGK3
SCHEMBL9612994 0.76 ENPP1 (0.38) ADORA2AADORA1TDP1L3MBTL1
SCHEMBL9612976 0.75 MAPKAPK2 (0.38) CAMKK1CAMKK2DHODH
SCHEMBL18790540 0.75 DHODH (0.47) DHODHADORA3ADORA2AADORA2BADORA1
SCHEMBL9613005 0.74 PRKDC (0.39) CAMKK1CAMKK2DHODHFEN1ALOX5AP
SCHEMBL12435999 0.74 HPGDS (0.49) CHRNB2CHRNA3
SCHEMBL9612978 0.74 PTGS2 (0.41) CAMKK1CAMKK2DHODHFEN1ALOX5AP

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
WO-2012070535-A1 ELECTRON TRANSPORT MATERIAL, AND ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME JNC株式会社 (JP) 2012-05-31 WO disclosed