SCHEMBL8994843

SCHEMBL8994843

c1ccc(N(c2ccc(-c3ccc(N(c4ccccc4)c4ccc5ccc6cccc7ccc4c5c67)s3)s2)c2ccc3ccc4cccc5ccc2c3c45)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.36
ERBB2 P04626 1/20 0.36
FYN P06241 1/20 0.36
MAOA P21397 1/20 0.36
ACHE P22303 1/20 0.36
AHR P35869 1/20 0.36
ALDH1A1 P00352 4/20 0.34
HPGD P15428 4/20 0.34
HSD17B10 Q99714 4/20 0.34
THRB P10828 1/20 0.34
CYP3A4 P08684 2/20 0.34
TSHR P16473 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
APP P05067 1/20 0.34
CYP1A1 P04798 1/20 0.31
CYP1B1 Q16678 1/20 0.31
KMT2A Q03164 2/20 0.30
KDM4E B2RXH2 1/20 0.30
GLA P06280 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
SCHEMBL29558904 0.83 CYP1A2 (0.46) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL13320947 0.83 CYP1A2 (0.46) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL9239321 0.83 CYP1A2 (0.46) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL133492 0.83 CYP1A2 (0.46) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL8994816 0.82 SIGMAR1 (0.41) CYP1A2ALDH1A1HSD17B10CYP3A4TSHR
SCHEMBL24054608 0.81 CYP1A2 (0.44) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL4316684 0.80 APP (0.41) CYP1A2ALDH1A1HPGDHSD17B10THRB
SCHEMBL8994852 0.80 CRHBP (0.37) ALDH1A1HPGDHSD17B10TSHRL3MBTL1
SCHEMBL15431178 0.78 CYP1A2 (0.39) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL21863208 0.78 CYP1A2 (0.39) CYP1A2ERBB2FYNMAOAACHE

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8187728-B2 Organic electroluminescent device and display device SONY CORPORATION (JP) 2012-05-29 US disclosed
US-8187728-B2 Organic electroluminescent device and display device SONY CORPORATION (JP) 2012-05-29 US disclosed
US-20090026935-A1 ORGANIC ELECTROLUMINESCENT DEVICE AND DISPLAY DEVICE SONY CORPORATION (JP) 2009-01-29 US disclosed
US-20090026935-A1 ORGANIC ELECTROLUMINESCENT DEVICE AND DISPLAY DEVICE SONY CORPORATION (JP) 2009-01-29 US disclosed