SCHEMBL21868321

SCHEMBL21868321

CC1(C)c2ccccc2C2(c3ccccc3-c3c(-c4cnc5ccccc5n4)cccc32)c2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
MAPT P10636 3/20 0.41
MAPK10 P53779 2/20 0.41
MEN1 O00255 1/20 0.41
ALOX12 P18054 1/20 0.41
KMT2A Q03164 1/20 0.41
ATM Q13315 1/20 0.41
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 1/20 0.38
NPC1 O15118 10/20 0.38
RAB9A P51151 8/20 0.38
SMN1; SMN2 Q16637 4/20 0.37
JAK2 O60674 1/20 0.37
BCHE P06276 1/20 0.37
KDM4E B2RXH2 3/20 0.36
HPGD P15428 2/20 0.36
GAA P10253 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
HSD17B10 Q99714 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
SCHEMBL24648298 0.92 ALDH1A1 (0.41) ALDH1A1MAPTMAPK10MEN1ALOX12
SCHEMBL24596430 0.90 ALDH1A1 (0.43) ALDH1A1MAPTMAPK10MEN1ALOX12
SCHEMBL24293151 0.84 RAB9A (0.40) ALDH1A1MAPTMEN1KMT2ANPC1
SCHEMBL21868043 0.80 NPC1 (0.52) ALDH1A1MAPTMAPK10MEN1ALOX12
SCHEMBL21868308 0.79 BRD4 (0.42) CYP1A2
SCHEMBL24646917 0.79 NPC1 (0.48) ALDH1A1MAPTMEN1KMT2ANPC1
SCHEMBL21867966 0.79 ALDH1A1 (0.37) ALDH1A1MAPTMAPK10MEN1ALOX12
SCHEMBL21868329 0.79 KDM4E (0.39) ALDH1A1MAPTHSP90AA1NPC1RAB9A
SCHEMBL24596659 0.79 ALDH1A1 (0.46) ALDH1A1MAPTMAPK10MEN1ALOX12
SCHEMBL21868294 0.78 ACACA (0.44) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2

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