SCHEMBL22435802

SCHEMBL22435802

c1ccc(-c2ccc(Nc3ccc(-c4ccc(-c5ccccc5)cc4)cc3-c3ccccc3)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 2/20 0.46
PTGER4 P35408 1/20 0.44
MAPKAPK2 P49137 2/20 0.43
MEN1 O00255 3/20 0.41
MAPT P10636 3/20 0.41
KMT2A Q03164 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
LMNA P02545 2/20 0.41
HTT P42858 2/20 0.41
BLM P54132 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
APAF1 O14727 1/20 0.41
NPC1 O15118 1/20 0.41
THRB P10828 1/20 0.41
XBP1 P17861 1/20 0.41
PTBP1 P26599 1/20 0.41
RAB9A P51151 1/20 0.41
GALK1 P51570 1/20 0.41
SMAD3 P84022 1/20 0.41

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
SCHEMBL20484337 1.00 ALK (0.46) ALKPTGER4MAPKAPK2MEN1MAPT
SCHEMBL15662804 1.00 ALK (0.46) ALKPTGER4MAPKAPK2MEN1MAPT
SCHEMBL30406285 1.00 ALK (0.46) ALKPTGER4MAPKAPK2MEN1MAPT
SCHEMBL17661359 0.98 ALK (0.49) ALKPTGER4MAPKAPK2MEN1MAPT
SCHEMBL17547231 0.96 ALK (0.44) ALKPTGER4MAPKAPK2MEN1MAPT
SCHEMBL17454690 0.96 ALK (0.44) ALKPTGER4MAPKAPK2MEN1MAPT
SCHEMBL14877562 0.96 ALK (0.44) ALKPTGER4MAPKAPK2MEN1MAPT
SCHEMBL22435800 0.96 ALK (0.44) ALKPTGER4MAPKAPK2MEN1MAPT
SCHEMBL14461554 0.96 ALK (0.50) ALKPTGER4MAPKAPK2MEN1MAPT
SCHEMBL22435801 0.94 ALK (0.43) ALKPTGER4MAPKAPK2MEN1MAPT

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
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