SCHEMBL21868660

SCHEMBL21868660

c1ccc(-c2ccc3c(-c4cccc(-c5ccc6c(c5)-c5ccccc5C65c6ccccc6N(c6ccccc6)c6ccccc65)c4)cccc3n2)cc1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
HPGD P15428 2/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
ACACA Q13085 1/20 0.33
PDE6D O43924 1/20 0.31
TDO2 P48775 1/20 0.31
NQO2 P16083 1/20 0.30
LMNA P02545 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL21867819 0.95 KDM4E (0.34) KDM4EL3MBTL1HPGDALDH1A1MAPT
SCHEMBL24647392 0.89 ACACA (0.39) KDM4EL3MBTL1HPGDALDH1A1MAPT
SCHEMBL24905060 0.85 KDM4E (0.39) KDM4EL3MBTL1HPGDALDH1A1MAPT
SCHEMBL21867552 0.84 ACACA (0.38) KDM4EL3MBTL1HPGDALDH1A1MAPT
SCHEMBL19007103 0.84 MAPT (0.40) KDM4EHPGDALDH1A1MAPTTDP1
SCHEMBL19007131 0.84 MAPT (0.40) KDM4EHPGDALDH1A1MAPTTDP1
SCHEMBL21868653 0.84 NPC1 (0.44) ALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL24293108 0.84 ACACA (0.32) KDM4EL3MBTL1HPGDALDH1A1MAPT
SCHEMBL19007117 0.83 MEN1 (0.39) KDM4EHPGDALDH1A1MAPTTDP1
SCHEMBL24646714 0.82 MEN1 (0.41) KDM4EHPGDALDH1A1MAPTTDP1

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 2 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
WO-2020067823-A1 ORGANIC ELECTROLUMINESCENT ELEMENT 주식회사 엘지화학 2020-04-02 WO disclosed