SCHEMBL22706679

SCHEMBL22706679

Cn1c2ccccc2c2cc(-c3cccc4c(-c5ccccc5)c5cccc(-c6ccc7c(c6)c6ccccc6n7C)c5cc34)ccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.46
KDM4E B2RXH2 3/20 0.46
HSD17B10 Q99714 3/20 0.44
HPGD P15428 3/20 0.44
ALDH1A1 P00352 3/20 0.44
MAPT P10636 2/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
HTT P42858 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
APH1B Q8WW43 1/20 0.38
NCSTN Q92542 1/20 0.38
APH1A Q96BI3 1/20 0.38
PSENEN Q9NZ42 1/20 0.38

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
SCHEMBL22707727 0.99 KDM4E (0.44) GPR3KDM4EHSD17B10HPGDALDH1A1
SCHEMBL22706512 0.94 KDM4E (0.43) GPR3KDM4EHSD17B10HPGDALDH1A1
SCHEMBL22707070 0.93 HSD17B10 (0.46) GPR3KDM4EHSD17B10HPGDALDH1A1
SCHEMBL22706290 0.92 HSD17B10 (0.44) GPR3KDM4EHSD17B10HPGDALDH1A1
SCHEMBL22706906 0.92 HSD17B10 (0.44) GPR3KDM4EHSD17B10HPGDALDH1A1
SCHEMBL22705859 0.92 HSD17B10 (0.44) GPR3KDM4EHSD17B10HPGDALDH1A1
SCHEMBL22706779 0.91 RXRA (0.48) GPR3KDM4EHSD17B10HPGDALDH1A1
SCHEMBL22706539 0.91 KDM4E (0.43) GPR3KDM4EHSD17B10HPGDALDH1A1
SCHEMBL22707729 0.90 RXRA (0.50) GPR3KDM4EHSD17B10HPGDALDH1A1
SCHEMBL22706702 0.90 HSD17B10 (0.41) GPR3KDM4EHSD17B10HPGDALDH1A1

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-20200373496-A1 ORGANIC LIGHT EMITTING ELEMENT LG CHEM, LTD. (KR) 2020-11-26 US disclosed