SCHEMBL17547231

SCHEMBL17547231

c1ccc(-c2ccc(Nc3ccc(-c4cccc(-c5ccccc5)c4)cc3-c3ccccc3)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 2/20 0.44
PTGER4 P35408 1/20 0.42
AKR1C3 P42330 1/20 0.41
MAPKAPK2 P49137 2/20 0.41
SIRT2 Q8IXJ6 1/20 0.41
SIRT1 Q96EB6 1/20 0.41
SMO Q99835 1/20 0.40
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
MAPT P10636 4/20 0.39
TDP1 Q9NUW8 4/20 0.39
KDM4E B2RXH2 2/20 0.39
GLA P06280 2/20 0.39
GAA P10253 2/20 0.39
RECQL P46063 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
LMNA P02545 2/20 0.39
HTT P42858 2/20 0.39
BLM P54132 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39

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
SCHEMBL14877562 1.00 ALK (0.44) ALKPTGER4AKR1C3MAPKAPK2SIRT2
SCHEMBL17454690 1.00 ALK (0.44) ALKPTGER4AKR1C3MAPKAPK2SIRT2
SCHEMBL17661457 0.96 ALK (0.47) ALKPTGER4AKR1C3MAPKAPK2SIRT2
SCHEMBL22435800 0.96 ALK (0.44) ALKPTGER4AKR1C3MAPKAPK2SIRT2
SCHEMBL20484337 0.96 ALK (0.46) ALKPTGER4AKR1C3MAPKAPK2SIRT2
SCHEMBL22435802 0.96 ALK (0.46) ALKPTGER4AKR1C3MAPKAPK2SIRT2
SCHEMBL15662804 0.96 ALK (0.46) ALKPTGER4AKR1C3MAPKAPK2SIRT2
SCHEMBL30406285 0.96 ALK (0.46) ALKPTGER4AKR1C3MAPKAPK2SIRT2
SCHEMBL17661359 0.94 ALK (0.49) ALKPTGER4AKR1C3MAPKAPK2SIRT2
SCHEMBL17547111 0.93 ALK (0.42) ALKPTGER4AKR1C3MAPKAPK2SIRT2

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
WO-2020185054-A9 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME 주식회사 엘지화학 (KR) 2020-11-26 WO disclosed
WO-2020185054-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME 주식회사 엘지화학 2020-09-17 WO disclosed
EP-2991128-A1 ORGANIC LIGHT-EMITTING DEVICE Samsung Electronics Co., Ltd. (KR) 2016-03-02 EP disclosed