SCHEMBL22706398

SCHEMBL22706398

c1ccc(-c2c3cccc(-c4cc5ccccc5cc4-c4cccc5c4c4cccc6c7ccccc7n5c64)c3cc3c(-c4cc5ccccc5cc4-c4cccc5c4c4cccc6c7ccccc7n5c64)cccc23)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
HPGD P15428 3/20 0.37
TSHR P16473 2/20 0.37
MAPK1 P28482 2/20 0.37
CASP1 P29466 2/20 0.37
HIF1A Q16665 2/20 0.37
HSD17B10 Q99714 2/20 0.37
TP53 P04637 1/20 0.37
CASP7 P55210 1/20 0.37
ESR1 P03372 4/20 0.34
ESR2 Q92731 3/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ALOX5 P09917 1/20 0.33
KDM4E B2RXH2 2/20 0.31
MEN1 O00255 2/20 0.31
MAPT P10636 2/20 0.31
KMT2A Q03164 2/20 0.31
POLB P06746 1/20 0.31
HTT P42858 1/20 0.31
CES1 P23141 1/20 0.31

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
SCHEMBL22706192 0.94 KDM4E (0.34) ALDH1A1HPGDHSD17B10KDM4EMEN1
SCHEMBL22706189 0.92 KDM4E (0.33) ALDH1A1HPGDHSD17B10KDM4EMEN1
SCHEMBL22706152 0.91 KDM4E (0.33) ALDH1A1HPGDKDM4EMEN1MAPT
SCHEMBL22707561 0.88 PIM1 (0.33) ALDH1A1HPGDTSHRMAPK1CASP1
SCHEMBL22707879 0.88 KDM4E (0.32) ALDH1A1HPGDHSD17B10KDM4EMEN1
SCHEMBL22707927 0.87 KDM4E (0.34) ALDH1A1HPGDHSD17B10KDM4EMEN1
SCHEMBL22707392 0.87 KDM4E (0.36) ALDH1A1HPGDTSHRMAPK1CASP1
SCHEMBL22708000 0.87 ALOX5 (0.34) ALDH1A1HPGDTSHRMAPK1CASP1
SCHEMBL22707406 0.86 KDM4E (0.33) ALDH1A1HPGDKDM4EMEN1MAPT
SCHEMBL22706639 0.86 KDM4E (0.34) ALDH1A1HPGDHSD17B10KDM4EMEN1

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