SCHEMBL17944288

SCHEMBL17944288

c1ccc2c(c1)ccc1oc3c(-c4c5ccccc5c(-c5cccc6sc7ccccc7c56)c5ccccc45)cccc3c12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRDT Q58F21 1/20 0.39
NQO1 P15559 1/20 0.35
NQO2 P16083 1/20 0.35
AHR P35869 4/20 0.34
MEN1 O00255 3/20 0.34
MAPT P10636 3/20 0.34
KMT2A Q03164 3/20 0.34
CYP3A4 P08684 2/20 0.34
TP53 P04637 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
GPR3 P46089 1/20 0.33
ABCG2 Q9UNQ0 2/20 0.32
CYP1A2 P05177 2/20 0.32
CYP1A1 P04798 1/20 0.32
FYN P06241 1/20 0.32
MAPK3 P27361 1/20 0.32
PAX8 Q06710 1/20 0.32
TDP1 Q9NUW8 2/20 0.32

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
SCHEMBL24518952 0.88 BRDT (0.41) BRDTAHRMEN1MAPTKMT2A
SCHEMBL23426703 0.88 BRDT (0.43) BRDTAHRMEN1MAPTKMT2A
SCHEMBL24519053 0.86 BRDT (0.40) BRDTAHRMEN1MAPTKMT2A
SCHEMBL17931991 0.86 ARSA (0.42) BRDTNQO1NQO2MEN1MAPT
SCHEMBL24519088 0.85 BRDT (0.40) BRDTAHRMEN1MAPTKMT2A
SCHEMBL19081713 0.85 BRDT (0.34) BRDTNQO1NQO2AHRMEN1
SCHEMBL17944564 0.84 BRDT (0.41) BRDTMEN1MAPTKMT2AGPR3
SCHEMBL17944871 0.83 AHR (0.40) AHRMEN1MAPTKMT2ACYP3A4
SCHEMBL19082042 0.83 AHR (0.34) BRDTNQO1NQO2AHRMEN1
SCHEMBL24518966 0.82 ALOX5 (0.41) NQO1NQO2AHRMEN1MAPT

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-20160218297-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2016-07-28 US disclosed
US-20160218297-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2016-07-28 US disclosed