SCHEMBL22969461

SCHEMBL22969461

c1ccc(-c2ccccc2-c2c3ccccc3c(-c3ccc4c5c(cccc35)Sc3ccccc3-4)c3ccccc23)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 1/20 0.37
CD274 Q9NZQ7 1/20 0.37
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33
KEAP1 Q14145 1/20 0.33
NFE2L2 Q16236 1/20 0.33
TYMS P04818 1/20 0.32
MAP4K4 O95819 1/20 0.31
CSF1R P07333 1/20 0.31
FGFR1 P11362 1/20 0.31
PDGFRA P16234 1/20 0.31
LTK P29376 1/20 0.31
KDR P35968 1/20 0.31
MAPK8 P45983 1/20 0.31
CSNK1A1 P48729 1/20 0.31
LIMK1 P53667 1/20 0.31
CDK5 Q00535 1/20 0.31
ACVR1 Q04771 1/20 0.31
TNK2 Q07912 1/20 0.31
AURKB Q96GD4 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
SCHEMBL22969171 0.98 PDCD1 (0.36) PDCD1CD274CRHBPCRHR2KEAP1
SCHEMBL22969353 0.94 ACHE (0.35) PDCD1CD274CRHBPCRHR2KEAP1
SCHEMBL22969186 0.92 ACHE (0.34) PDCD1CD274CRHBPCRHR2KEAP1
SCHEMBL18012107 0.92 CRHBP (0.37) CRHBPCRHR2KEAP1NFE2L2TYMS
SCHEMBL22969347 0.91 CRHBP (0.34) PDCD1CD274CRHBPCRHR2KEAP1
SCHEMBL22969342 0.91 ACHE (0.33) PDCD1CD274CRHBPCRHR2KEAP1
SCHEMBL16558558 0.90 CRHBP (0.36) CRHBPCRHR2KEAP1NFE2L2TYMS
SCHEMBL16558471 0.90 CRHBP (0.36) CRHBPCRHR2KEAP1NFE2L2TYMS
SCHEMBL22969194 0.90 CRHBP (0.33) PDCD1CD274CRHBPCRHR2KEAP1
SCHEMBL22969193 0.90 ACHE (0.33) PDCD1CD274CRHBPCRHR2KEAP1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021025163-A1 ORGANIC ELECTROLUMINESCENT ELEMENT AND ELECTRONIC DEVICE USING SAME 出光興産株式会社 2021-02-11 WO disclosed
WO-2021025162-A1 NOVEL COMPOUND, ORGANIC ELECTROLUMINESCENT ELEMENT INCLUDING SAME, AND ELECTRONIC APPLIANCE 出光興産株式会社 2021-02-11 WO disclosed