SCHEMBL9968175

SCHEMBL9968175

CC(C)(C)c1ccc2c(n1)c1ncccc1n2-c1ccc(C(C)(C)c2ccc(-n3c4cccnc4c4nc(C(C)(C)C)ccc43)cc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 1/20 0.36
AKT2 P31751 1/20 0.36
AKT3 Q9Y243 1/20 0.36
GLO1 Q04760 1/20 0.36
UQCRB P14927 1/20 0.33
PTGS2 P35354 2/20 0.31
NR1H4 Q96RI1 1/20 0.31
L3MBTL1 Q9Y468 2/20 0.30
COMT P21964 1/20 0.30
ALDH1A1 P00352 2/20 0.30
PDE10A Q9Y233 1/20 0.30
USP14 P54578 1/20 0.30
KDM4E B2RXH2 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
HTT P42858 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL12383119 0.80 RPS6KA5 (0.34) AKT1AKT2AKT3L3MBTL1ALDH1A1
SCHEMBL9968114 0.80 ADORA3 (0.42) GLO1UQCRBL3MBTL1COMTALDH1A1
SCHEMBL261528 0.78 KDM4E (0.41) AKT1AKT2AKT3UQCRBL3MBTL1
SCHEMBL9968216 0.77 S1PR1 (0.39) PTGS2
SCHEMBL15695210 0.77 KDM4E (0.43) AKT1AKT2AKT3UQCRBL3MBTL1
SCHEMBL17680374 0.75 L3MBTL1 (0.38) AKT1AKT2AKT3L3MBTL1COMT
SCHEMBL12383114 0.74 KCNH2 (0.36) AKT1AKT2AKT3L3MBTL1
SCHEMBL9968148 0.74 KDM4E (0.38) L3MBTL1ALDH1A1KDM4EMAPTHTT
SCHEMBL9968191 0.73 CCR1 (0.35) GLO1UQCRBL3MBTL1COMTALDH1A1
SCHEMBL11978683 0.73 ALDH1A1 (0.45) AKT1AKT2L3MBTL1COMTALDH1A1

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