SCHEMBL21868653

SCHEMBL21868653

c1ccc(N2c3ccccc3C3(c4ccccc4-c4cc(-c5cccc(-c6cnc7ccccc7n6)c5)ccc43)c3ccccc32)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.44
RAB9A P51151 9/20 0.44
JAK2 O60674 4/20 0.39
POLB P06746 1/20 0.38
KMT2A Q03164 2/20 0.38
JAK3 P52333 2/20 0.37
MITF O75030 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
TLR9 Q9NR96 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
TP53 P04637 1/20 0.36
STAT1 P42224 1/20 0.36
BCHE P06276 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
PDGFRB P09619 1/20 0.36

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
SCHEMBL24293280 0.91 NPC1 (0.43) NPC1RAB9AJAK2KMT2AJAK3
SCHEMBL24904964 0.86 NPC1 (0.34) NPC1RAB9AJAK2POLBKMT2A
SCHEMBL19007089 0.84 MEN1 (0.41) KMT2AALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL19007118 0.84 MEN1 (0.41) KMT2AALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL21578483 0.84 PDK2 (0.37)
SCHEMBL19007191 0.84 MEN1 (0.35) KMT2AALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL19007082 0.84 MEN1 (0.35) KMT2AALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL19007126 0.84 PDE6D (0.37) KMT2AALDH1A1LMNAMAPTHTT
SCHEMBL21868660 0.84 KDM4E (0.34) ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL21868648 0.83 PDK2 (0.43)

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-20220376178-A1 ORGANIC LIGHT-EMITTING DEVICE LG CHEM, LTD. (KR) 2022-11-24 US disclosed
WO-2020067823-A1 ORGANIC ELECTROLUMINESCENT ELEMENT 주식회사 엘지화학 2020-04-02 WO disclosed