SCHEMBL22707397

SCHEMBL22707397

c1ccc(-c2cc(-c3c4cccc(-c5ccc6c7ccccc7n7c8ccccc8c5c67)c4cc4c(-c5ccc6c7ccccc7n7c8ccccc8c5c67)cccc34)cc3ccccc23)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
HPGD P15428 2/20 0.35
KDM4E B2RXH2 2/20 0.35
MEN1 O00255 2/20 0.35
MAPT P10636 2/20 0.35
KMT2A Q03164 2/20 0.35
MPI P34949 1/20 0.35
HSD17B1 P14061 1/20 0.34
HSD17B2 P37059 1/20 0.34
HSD17B10 Q99714 2/20 0.33
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
CASP1 P29466 1/20 0.31
HIF1A Q16665 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
FLT3 P36888 1/20 0.31
CES1 P23141 1/20 0.31
MCL1 Q07820 1/20 0.30
BAD Q92934 1/20 0.30
RECQL P46063 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
SCHEMBL22707570 0.91 HSD17B1 (0.32) ALDH1A1HPGDKDM4EMEN1MAPT
SCHEMBL22707392 0.90 KDM4E (0.36) ALDH1A1HPGDKDM4EMEN1MAPT
SCHEMBL22706191 0.88 HSP90AA1 (0.33) ALDH1A1HPGDKDM4EMEN1MAPT
SCHEMBL22707539 0.87 HSP90AA1 (0.32) ALDH1A1HPGDKDM4EMEN1MAPT
SCHEMBL22706188 0.87 HSP90AA1 (0.32) ALDH1A1HPGDKDM4EMEN1MAPT
SCHEMBL22707928 0.87 MAPK14 (0.36) ALDH1A1HPGDKDM4EMEN1MAPT
SCHEMBL22707398 0.86 KDM4E (0.38) ALDH1A1HPGDKDM4EMEN1MAPT
SCHEMBL22706149 0.86 HSP90AA1 (0.32) HSD17B10
SCHEMBL22706638 0.86 HSD17B10 (0.34) KDM4EMEN1MAPTKMT2AHSD17B10
SCHEMBL22707155 0.86 ALDH1A1 (0.34) ALDH1A1HPGDKDM4EMEN1MAPT

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