SCHEMBL21868014

SCHEMBL21868014

c1ccc2c(c1)-c1ccccc1C21c2ccccc2C2(c3ccccc3-c3cc(-c4cnc5ccccc5n4)ccc32)c2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 11/20 0.52
RAB9A P51151 10/20 0.52
SMN1; SMN2 Q16637 4/20 0.49
BCHE P06276 1/20 0.49
MAPT P10636 4/20 0.44
JAK2 O60674 2/20 0.44
KDM4E B2RXH2 2/20 0.43
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
TLR9 Q9NR96 1/20 0.42
ALDH1A1 P00352 3/20 0.42
HPGD P15428 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MITF O75030 1/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
JAK3 P52333 1/20 0.41
TP53 P04637 1/20 0.41
STAT1 P42224 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
SCHEMBL24647350 0.93 NPC1 (0.51) NPC1RAB9ASMN1; SMN2BCHEMAPT
SCHEMBL21868043 0.91 NPC1 (0.52) NPC1RAB9ASMN1; SMN2BCHEMAPT
SCHEMBL21868564 0.90 NPC1 (0.46) NPC1RAB9ASMN1; SMN2BCHEMAPT
SCHEMBL24293743 0.88 NPC1 (0.52) NPC1RAB9ASMN1; SMN2BCHEMAPT
SCHEMBL24596432 0.87 NPC1 (0.55) NPC1RAB9ASMN1; SMN2BCHEMAPT
SCHEMBL24646917 0.86 NPC1 (0.48) NPC1RAB9ASMN1; SMN2BCHEMAPT
SCHEMBL24905369 0.83 NPC1 (0.47) NPC1RAB9ASMN1; SMN2BCHEMAPT
SCHEMBL19299226 0.83 NPC1 (0.47) NPC1RAB9ASMN1; SMN2BCHEMAPT
SCHEMBL21868653 0.82 NPC1 (0.44) NPC1RAB9ASMN1; SMN2BCHEMAPT
SCHEMBL14278911 0.81 NPC1 (0.45) NPC1RAB9ASMN1; SMN2BCHEMAPT

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