SCHEMBL17944792

SCHEMBL17944792

c1ccc2c(-c3c4ccccc4c(-c4ccc5c(c4)sc4cc(-c6cccc7c6oc6ccc8ccccc8c67)ccc45)c4ccccc34)cccc2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.38
AHR P35869 4/20 0.33
PAX8 Q06710 2/20 0.33
NPC1 O15118 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
ABCG2 Q9UNQ0 2/20 0.33
MEN1 O00255 2/20 0.33
MAPT P10636 2/20 0.33
KMT2A Q03164 2/20 0.33
RAB9A P51151 1/20 0.33
CYP1A1 P04798 1/20 0.33
CYP1A2 P05177 1/20 0.33
FYN P06241 1/20 0.33
MAPK3 P27361 1/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
PRKDC P78527 2/20 0.33

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
SCHEMBL17944302 0.93 ABCG2 (0.38) ALOX5AHRPAX8NPC1TDP1
SCHEMBL17931974 0.88 ALOX5 (0.42) ALOX5AHRPAX8NPC1TDP1
SCHEMBL17944322 0.88 PSD (0.34) AHRPAX8NPC1TDP1ABCG2
SCHEMBL17945202 0.88 TDP1 (0.34) AHRPAX8NPC1TDP1ABCG2
SCHEMBL17943947 0.87 ALOX5 (0.37) ALOX5TDP1ABCG2MAPTCYP1A1
SCHEMBL17944143 0.87 ALOX5 (0.42) ALOX5AHRPAX8NPC1TDP1
SCHEMBL17931942 0.87 AHR (0.41) ALOX5AHRPAX8NPC1TDP1
SCHEMBL19081793 0.87 PSD (0.34) AHRPAX8NPC1TDP1ABCG2
SCHEMBL17944151 0.87 ALOX5 (0.40) ALOX5RAB9ACYP1A2CYP2C19PRKDC
SCHEMBL17944663 0.85 TDP1 (0.34) ALOX5TDP1MEN1MAPTKMT2A

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