SCHEMBL9968099

SCHEMBL9968099

Cn1c2ccc(C(C)(C)C)cc2c2ncccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.43
ADORA2A P29274 1/20 0.43
KIF11 P52732 3/20 0.42
PGR P06401 2/20 0.38
NR1H3 Q13133 1/20 0.38
NPY5R Q15761 1/20 0.38
HTR1D P28221 1/20 0.38
RORA P35398 1/20 0.37
RORC P51449 1/20 0.37
RORB Q92753 1/20 0.37
MAPK14 Q16539 1/20 0.37
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.36
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
HSD17B10 Q99714 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL9968157 0.86 ADORA3 (0.39) ADORA3ADORA2AKIF11MAPK14KMT2A
Benzene SCHEMBL28231296 0.80 HTR1D (0.47) KIF11PGRNR1H3NPY5RHTR1D
SCHEMBL2604384 0.80 HTR1D (0.50) KIF11PGRNR1H3NPY5RHTR1D
SCHEMBL13911852 0.80 MEN1 (0.53) ADORA3ADORA2AMAPK14KMT2AMEN1
SCHEMBL2604375 0.79 GPR3 (0.61) KIF11PGRNR1H3NPY5RHTR1D
SCHEMBL13183748 0.79 ADORA3 (0.50) ADORA3ADORA2AKIF11MAPK14KMT2A
SCHEMBL1609786 0.77 GPR3 (0.58) ADORA3ADORA2AKIF11MAPK14KMT2A
SCHEMBL31232963 0.77 GPR3 (0.58) ADORA3ADORA2AKIF11MAPK14KMT2A
SCHEMBL12611168 0.76 HTR1D (0.47) KIF11PGRNR1H3NPY5RHTR1D
SCHEMBL12417360 0.76 ADORA3 (0.43) ADORA3ADORA2AKIF11NPY5RMAPK14

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