SCHEMBL15089007

SCHEMBL15089007

CC1(C)c2ccccc2-c2cc3c(cc21)N(c1cccnc1)c1cccc2cccc-3c12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.44
HTT P42858 2/20 0.44
GAA P10253 2/20 0.44
MAPT P10636 2/20 0.44
MAPK1 P28482 1/20 0.44
AR P10275 1/20 0.34
ELANE P08246 1/20 0.33
PGR P06401 3/20 0.32
CYP11B2 P19099 2/20 0.32
CYP11B1 P15538 1/20 0.32
CASP1 P29466 2/20 0.32
CASP7 P55210 2/20 0.32
HPGD P15428 2/20 0.32
GLA P06280 1/20 0.32
GFER P55789 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
PDE6D O43924 1/20 0.32
EGLN1 Q9GZT9 1/20 0.32
LMNA P02545 1/20 0.31
TSHR P16473 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
SCHEMBL15088979 0.88 ALDH1A1 (0.41) HSD17B10GAAMAPTMAPK1PGR
SCHEMBL15088985 0.88 PDE6D (0.41) HSD17B10HTTGAAMAPTMAPK1
SCHEMBL15089043 0.85 HTT (0.43) HSD17B10HTTGAAMAPTMAPK1
SCHEMBL15089003 0.84 CYP1A2 (0.33) HSD17B10HTTGAAMAPTMAPK1
SCHEMBL15088997 0.84 CYP11B2 (0.35) HSD17B10HTTGAAMAPTMAPK1
SCHEMBL15088982 0.83 PDK2 (0.36) HSD17B10HTTGAAMAPTMAPK1
SCHEMBL15089013 0.83 CYP2A6 (0.36) HSD17B10HTTGAAMAPTMAPK1
SCHEMBL15088980 0.83 PDE6D (0.43) HTTPGRPDE6DATMALDH1A1
SCHEMBL15089100 0.83 PDK2 (0.35) HSD17B10HTTGAAMAPTMAPK1
SCHEMBL15089045 0.82 CYP19A1 (0.37) HSD17B10HTTGAAMAPTMAPK1

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-2013100497-A1 ORGANIC LIGHT-EMITTING COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME 주식회사 두산 (KR) 2013-07-04 WO disclosed