SCHEMBL22705697

SCHEMBL22705697

c1ccc2c(c1)-c1c(-c3cccc4c(-c5cc6ccccc6c6ccccc56)c5cccc(-c6cccc7c6-c6ccccc6C76c7ccccc7-n7c8ccccc8c8cccc6c87)c5cc34)cccc1C21c2ccccc2-n2c3ccccc3c3cccc1c32

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DUSP3 P51452 1/20 0.32
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30
MAPK1 P28482 1/20 0.30
CASP1 P29466 1/20 0.30
HIF1A Q16665 1/20 0.30
HSD17B10 Q99714 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL22706476 0.91 KDM4E (0.33) DUSP3MAPK1
SCHEMBL22705810 0.91 CES1 (0.33) DUSP3MAPK1
SCHEMBL22707054 0.91 ERBB2 (0.31) DUSP3
SCHEMBL22707055 0.91 DUSP3 (0.30) DUSP3
SCHEMBL22706990 0.90 KDM4E (0.34) DUSP3MAPK1
SCHEMBL22706985 0.90 DUSP3 (0.34) DUSP3
SCHEMBL22706500 0.89
SCHEMBL22705863 0.88 KDM4E (0.32) DUSP3MAPK1
SCHEMBL22705658 0.88 DUSP3 (0.32) DUSP3
SCHEMBL22707108 0.87 DUSP3 (0.33) DUSP3

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