SCHEMBL9968196

SCHEMBL9968196

CC(C)(C)c1cc(-n2c3ccccc3c3nc(C(C)(C)C)ccc32)cc(-n2c3ccccc3c3nc(C(C)(C)C)ccc32)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.34
KDM4E B2RXH2 2/20 0.34
ATM Q13315 1/20 0.34
CYP11B2 P19099 5/20 0.34
CYP11B1 P15538 4/20 0.34
ALDH1A1 P00352 3/20 0.33
MAPT P10636 3/20 0.33
PTGER4 P35408 1/20 0.33
MAPK1 P28482 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CYP19A1 P11511 2/20 0.32
CYP2C9 P11712 2/20 0.32
KMT2A Q03164 3/20 0.32
PPARG P37231 1/20 0.31
HSD11B1 P28845 1/20 0.31
LMNA P02545 1/20 0.31
MEN1 O00255 2/20 0.31
NR1I2 O75469 1/20 0.31
AHR P35869 1/20 0.31
NPC1 O15118 1/20 0.31

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
SCHEMBL9968166 0.89 L3MBTL1 (0.40) L3MBTL1KDM4EATMALDH1A1MAPT
SCHEMBL9968184 0.83 L3MBTL1 (0.37) L3MBTL1KDM4EATMALDH1A1MAPT
SCHEMBL9968191 0.82 CCR1 (0.35) L3MBTL1KDM4EATMALDH1A1MAPT
SCHEMBL12353913 0.81 KDM4E (0.52) L3MBTL1KDM4EATMCYP11B2CYP11B1
SCHEMBL9968212 0.81 POLB (0.34) L3MBTL1KDM4EATMCYP11B2CYP11B1
SCHEMBL9968231 0.79 L3MBTL1 (0.36) L3MBTL1KDM4EATMALDH1A1MAPT
SCHEMBL13232630 0.78 L3MBTL1 (0.46) L3MBTL1KDM4EATMALDH1A1MAPT
SCHEMBL30846089 0.77 KDM4E (0.52) L3MBTL1KDM4EATMCYP11B2CYP11B1
SCHEMBL9968148 0.77 KDM4E (0.38) L3MBTL1KDM4EATMALDH1A1MAPT
SCHEMBL9968067 0.76 GPR3 (0.50) L3MBTL1KDM4EALDH1A1MAPTPTGER4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120153817-A1 ORGANIC ELECTROLUMINESCENCE DEVICE FUJIFILM CORPORATION (JP) 2012-06-21 US disclosed
US-20120153817-A1 ORGANIC ELECTROLUMINESCENCE DEVICE FUJIFILM CORPORATION (JP) 2012-06-21 US disclosed