SCHEMBL18159294

SCHEMBL18159294

c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cc5ccc6cc(-c7ccc(N(c8ccc(-c9ccccc9)cc8)c8ccc(-c9ccccc9)cc8)cc7)cc7ccc(c4)c5c67)cc3)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 5/20 0.44
ESR2 Q92731 5/20 0.44
BACE1 P56817 1/20 0.43
ALDH1A1 P00352 3/20 0.40
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
KDM4E B2RXH2 1/20 0.40
CYP2D6 P10635 1/20 0.40
MAPT P10636 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PGR P06401 1/20 0.38
NPC1 O15118 1/20 0.37
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
MGLL Q99685 1/20 0.35
FGFR1 P11362 1/20 0.35
DYRK3 O43781 1/20 0.35

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
SCHEMBL18079876 0.96 ALDH1A1 (0.45) ESR1ESR2BACE1ALDH1A1CYP1A2
SCHEMBL17816331 0.94 CYP1A2 (0.41) ESR1ESR2BACE1ALDH1A1CYP1A2
SCHEMBL17263995 0.92 ALDH1A1 (0.42) ESR1ESR2BACE1ALDH1A1CYP1A2
SCHEMBL15726466 0.90 ALDH1A1 (0.39) ESR1ESR2BACE1ALDH1A1CYP1A2
SCHEMBL13304314 0.90 ALDH1A1 (0.43) ESR1ESR2BACE1ALDH1A1CYP1A2
SCHEMBL15726482 0.89 ESR1 (0.48) ESR1ESR2BACE1ALDH1A1CYP1A2
SCHEMBL15731051 0.88 ESR1 (0.40) ESR1ESR2BACE1ALDH1A1CYP1A2
SCHEMBL15731062 0.88 CYP1A2 (0.46) ESR1ESR2ALDH1A1CYP1A2CYP3A4
SCHEMBL15731038 0.87 CYP1A2 (0.38) ESR1ESR2BACE1ALDH1A1CYP1A2
SCHEMBL15731043 0.87 CYP1A2 (0.38) ESR1ESR2BACE1ALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11322705-B2 Organic light-emitting device SAMSUNG DISPLAY CO., LTD. (KR) 2022-05-03 US disclosed
US-20160308138-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2016-10-20 US disclosed
US-20160308138-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2016-10-20 US disclosed