SCHEMBL17722993

SCHEMBL17722993

Cc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C)cc4)ccc2n3C)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.42
ACHE P22303 2/20 0.42
ICMT O60725 5/20 0.40
GPR3 P46089 1/20 0.39
MAPT P10636 4/20 0.39
KDM4E B2RXH2 4/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
HSD17B10 Q99714 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HTT P42858 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NR1I2 O75469 1/20 0.39
AHR P35869 1/20 0.39
MAOA P21397 1/20 0.38
APAF1 O14727 1/20 0.38
PKM P14618 1/20 0.38
IDO1 P14902 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL14984335 1.00 BCHE (0.42) BCHEACHEICMTGPR3MAPT
SCHEMBL14900745 0.91 BCHE (0.50) BCHEACHEGPR3MAPTKDM4E
SCHEMBL11998153 0.91 BCHE (0.50) BCHEACHEGPR3MAPTKDM4E
SCHEMBL17854085 0.91 GPR3 (0.57) BCHEACHEGPR3MAPTKDM4E
SCHEMBL17229602 0.91 GPR3 (0.57) BCHEACHEGPR3MAPTKDM4E
SCHEMBL9888789 0.87 BCHE (0.55) BCHEACHEGPR3MAPTKDM4E
SCHEMBL14900740 0.86 BCHE (0.46) BCHEACHEGPR3MAPTKDM4E
SCHEMBL6724002 0.83 GPR3 (0.50) BCHEACHEGPR3MAPTKDM4E
SCHEMBL6724023 0.83 GPR3 (0.50) BCHEACHEGPR3MAPTKDM4E
SCHEMBL14478581 0.83 GPR3 (0.50) BCHEACHEGPR3MAPTKDM4E

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
US-20160126478-A1 EMISSIVE COMPOUNDS FOR LIGHT EMITTING DEVICES NITTO DENKO CORPORATION (JP) 2016-05-05 US disclosed