SCHEMBL9968153

SCHEMBL9968153

CC(C)c1ccc2c(n1)c1ccc(C(C)(C)c3ccc4c5nc(C(C)C)ccc5n(-c5ccccc5)c4c3)cc1n2-c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAT2A P31153 8/20 0.39
ALDH1A1 P00352 3/20 0.34
GAA P10253 1/20 0.34
PRMT5 O14744 1/20 0.32
ACSS2 Q9NR19 1/20 0.31
KDM4E B2RXH2 2/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
ATM Q13315 1/20 0.31
MEN1 O00255 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
CASP1 P29466 1/20 0.31
CASP7 P55210 1/20 0.31
KMT2A Q03164 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL9968171 0.80 PTGES (0.32)
SCHEMBL9968148 0.73 KDM4E (0.38) MAT2AALDH1A1GAAKDM4EL3MBTL1
SCHEMBL9968198 0.71 PTGES (0.31)
SCHEMBL10206249 0.71 KDM4E (0.55) MAT2AALDH1A1KDM4EL3MBTL1ATM
SCHEMBL25833416 0.69 PPARG (0.41) MAT2AKDM4EL3MBTL1ATM
SCHEMBL14138105 0.69 L3MBTL1 (0.50) MAT2AALDH1A1KDM4EL3MBTL1ATM
SCHEMBL24272481 0.69 PPARG (0.43) MAT2AALDH1A1KDM4EL3MBTL1ATM
SCHEMBL24272482 0.68 KDM4E (0.50) MAT2AALDH1A1GAAKDM4EL3MBTL1
SCHEMBL9968144 0.68 KDM4E (0.38) MAT2AALDH1A1KDM4EL3MBTL1ATM
SCHEMBL27446317 0.68 KDM4E (0.44) MAT2AALDH1A1PRMT5KDM4EL3MBTL1

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