SCHEMBL22706149

SCHEMBL22706149

c1ccc(-c2ccc(-c3c4cccc(-c5ccc6c7ccccc7n7c8ccccc8c5c67)c4cc4c(-c5ccc6c7ccccc7n7c8ccccc8c5c67)cccc34)cc2)cc1

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.32
IDO1 P14902 1/20 0.32
HSD17B10 Q99714 1/20 0.31
MAPK14 Q16539 1/20 0.30
SRC P12931 1/20 0.30
PRKACA P17612 1/20 0.30
PRKACG P22612 1/20 0.30
PRKACB P22694 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
SCHEMBL22706191 0.97 HSP90AA1 (0.33) HSP90AA1IDO1HSD17B10MAPK14
SCHEMBL22706188 0.96 HSP90AA1 (0.32) HSP90AA1IDO1HSD17B10MAPK14
SCHEMBL22707539 0.96 HSP90AA1 (0.32) HSP90AA1IDO1HSD17B10MAPK14
SCHEMBL22707879 0.93 KDM4E (0.32) HSP90AA1IDO1HSD17B10
SCHEMBL22707928 0.91 MAPK14 (0.36) HSP90AA1IDO1HSD17B10MAPK14
SCHEMBL22706638 0.90 HSD17B10 (0.34) HSP90AA1IDO1HSD17B10MAPK14
SCHEMBL22706152 0.88 KDM4E (0.33)
SCHEMBL22706264 0.88 KDM4E (0.33) HSD17B10MAPK14
SCHEMBL22707556 0.86 PIM1 (0.33) HSD17B10
SCHEMBL22706192 0.85 KDM4E (0.34) HSD17B10

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