SCHEMBL24293151

SCHEMBL24293151

CC1(C)c2ccccc2C2(c3ccccc3-c3c(-c4cnc5ccccc5n4)cccc32)c2cc(-c3ccc4c(c3)C3(c5ccccc5-c5c(-c6nc7ccccc7s6)cccc53)c3ccccc3C4(C)C)ccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.40
NPC1 O15118 8/20 0.40
KDM4E B2RXH2 7/20 0.40
ALDH1A1 P00352 6/20 0.40
MEN1 O00255 6/20 0.40
KMT2A Q03164 6/20 0.40
MAPT P10636 6/20 0.40
SMN1; SMN2 Q16637 5/20 0.40
GAA P10253 3/20 0.40
TDP1 Q9NUW8 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
POLB P06746 1/20 0.36
APP P05067 3/20 0.35
GLA P06280 2/20 0.35
HCRTR1 O43613 1/20 0.35
ILK Q13418 1/20 0.35
NFKB1 P19838 2/20 0.34
NFKB2 Q00653 2/20 0.34
RELA Q04206 2/20 0.34
TDP2 O95551 1/20 0.34

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
SCHEMBL21868322 0.85 KDM4E (0.55) RAB9ANPC1KDM4EALDH1A1MEN1
SCHEMBL21868321 0.84 ALDH1A1 (0.41) RAB9ANPC1KDM4EALDH1A1MEN1
SCHEMBL21868554 0.79 RAB9A (0.48) RAB9ANPC1KDM4EALDH1A1MEN1
SCHEMBL24466819 0.79 RAB9A (0.45) RAB9ANPC1KDM4EALDH1A1MEN1
SCHEMBL24646917 0.78 NPC1 (0.48) RAB9ANPC1KDM4EALDH1A1MEN1
SCHEMBL21868043 0.78 NPC1 (0.52) RAB9ANPC1KDM4EALDH1A1MEN1
SCHEMBL24648303 0.78 KDM4E (0.53) RAB9ANPC1KDM4EALDH1A1MEN1
SCHEMBL21868052 0.77 RAB9A (0.50) RAB9ANPC1KDM4EALDH1A1MEN1
SCHEMBL24648298 0.77 ALDH1A1 (0.41) RAB9ANPC1KDM4EALDH1A1MEN1
SCHEMBL24466775 0.75 APP (0.46) RAB9ANPC1KDM4EALDH1A1MEN1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220123218-A1 ORGANIC ELECTROLUMINESCENT DEVICE LG CHEM, LTD. (KR) 2022-04-21 US disclosed