SCHEMBL21868043

SCHEMBL21868043

CC1(C)c2ccccc2C2(c3ccccc3-c3ccccc32)c2cc(-c3cnc4ccccc4n3)ccc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 12/20 0.52
RAB9A P51151 10/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
BCHE P06276 1/20 0.46
JAK2 O60674 2/20 0.44
MAPT P10636 4/20 0.44
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.42
HPGD P15428 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TP53 P04637 1/20 0.41
STAT1 P42224 1/20 0.41
PDGFRB P09619 1/20 0.41
KDR P35968 1/20 0.41
FLT3 P36888 1/20 0.41
JAK3 P52333 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
MEN1 O00255 2/20 0.40

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
SCHEMBL24646917 0.95 NPC1 (0.48) NPC1RAB9ASMN1; SMN2BCHEJAK2
SCHEMBL21868564 0.91 NPC1 (0.46) NPC1RAB9ASMN1; SMN2BCHEJAK2
SCHEMBL21868014 0.91 NPC1 (0.52) NPC1RAB9ASMN1; SMN2BCHEJAK2
SCHEMBL24596432 0.89 NPC1 (0.55) NPC1RAB9ASMN1; SMN2BCHEJAK2
SCHEMBL22661775 0.88 NPC1 (0.56) NPC1RAB9ASMN1; SMN2BCHEJAK2
SCHEMBL24905168 0.87 NPC1 (0.43) NPC1RAB9ASMN1; SMN2BCHEJAK2
SCHEMBL21868211 0.86 NPC1 (0.49) NPC1RAB9ASMN1; SMN2BCHEJAK2
SCHEMBL24293743 0.84 NPC1 (0.52) NPC1RAB9ASMN1; SMN2BCHEJAK2
SCHEMBL24647350 0.84 NPC1 (0.51) NPC1RAB9ASMN1; SMN2BCHEJAK2
SCHEMBL21868393 0.82 NPC1 (0.45) NPC1RAB9ASMN1; SMN2BCHEJAK2

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-20230024114-A1 ORGANIC LIGHT-EMITTING DEVICE LG CHEM, LTD. (KR) 2023-01-26 US disclosed
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