SCHEMBL21868554

SCHEMBL21868554

CC1(C)c2ccccc2C2(c3ccccc3-c3c(-c4cccc(-c5nc6ccccc6s5)c4)cccc32)c2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.48
SMN1; SMN2 Q16637 7/20 0.48
MAPT P10636 6/20 0.48
NFKB1 P19838 3/20 0.48
NFKB2 Q00653 3/20 0.48
RELA Q04206 3/20 0.48
TDP1 Q9NUW8 3/20 0.48
KDM4E B2RXH2 7/20 0.48
NPC1 O15118 6/20 0.48
ALDH1A1 P00352 5/20 0.48
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
TP53 P04637 2/20 0.48
HSD17B10 Q99714 2/20 0.48
LMNA P02545 1/20 0.48
POLB P06746 1/20 0.48
GAA P10253 3/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
APP P05067 5/20 0.43
TDP2 O95551 1/20 0.42

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
SCHEMBL24647349 0.93 RAB9A (0.52) RAB9ASMN1; SMN2MAPTNFKB1NFKB2
SCHEMBL21868322 0.88 KDM4E (0.55) RAB9ASMN1; SMN2MAPTNFKB1NFKB2
SCHEMBL21868052 0.84 RAB9A (0.50) RAB9ASMN1; SMN2MAPTNFKB1NFKB2
SCHEMBL24466819 0.84 RAB9A (0.45) RAB9ASMN1; SMN2MAPTNFKB1NFKB2
SCHEMBL24466699 0.83 RAB9A (0.42) RAB9ASMN1; SMN2MAPTNFKB1NFKB2
SCHEMBL21867655 0.82 RAB9A (0.44) RAB9ASMN1; SMN2MAPTNFKB1NFKB2
SCHEMBL24466764 0.81 RAB9A (0.41) RAB9ASMN1; SMN2MAPTNFKB1NFKB2
SCHEMBL24466775 0.81 APP (0.46) RAB9ASMN1; SMN2MAPTNFKB1NFKB2
SCHEMBL24466774 0.81 TDP2 (0.47) RAB9ASMN1; SMN2MAPTTDP1KDM4E
SCHEMBL24648303 0.80 KDM4E (0.53) RAB9ASMN1; SMN2MAPTNFKB1NFKB2

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