SCHEMBL22969347

SCHEMBL22969347

c1ccc(-c2c3ccccc3c(-c3ccccc3-c3ccc4c5c(cccc35)Sc3ccccc3-4)c3ccccc23)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34
KEAP1 Q14145 1/20 0.34
NFE2L2 Q16236 1/20 0.34
ACHE P22303 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
PABPC1 P11940 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PDCD1 Q15116 1/20 0.32
CD274 Q9NZQ7 1/20 0.32
TYMS P04818 1/20 0.30
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
SCHEMBL22969194 0.99 CRHBP (0.33) CRHBPCRHR2KEAP1NFE2L2ACHE
SCHEMBL22969353 0.94 ACHE (0.35) CRHBPCRHR2KEAP1NFE2L2ACHE
SCHEMBL22969186 0.93 ACHE (0.34) CRHBPCRHR2KEAP1NFE2L2ACHE
SCHEMBL16558478 0.91 ACHE (0.33) CRHBPCRHR2KEAP1NFE2L2ACHE
SCHEMBL22969342 0.91 ACHE (0.33) CRHBPCRHR2KEAP1NFE2L2ACHE
SCHEMBL22969461 0.91 PDCD1 (0.37) CRHBPCRHR2KEAP1NFE2L2KDM4E
SCHEMBL22969193 0.90 ACHE (0.33) CRHBPCRHR2KEAP1NFE2L2ACHE
SCHEMBL22969343 0.90 PDCD1 (0.36) CRHBPCRHR2KEAP1NFE2L2ACHE
SCHEMBL22969171 0.90 PDCD1 (0.36) CRHBPCRHR2KEAP1NFE2L2KDM4E
SCHEMBL24254090 0.89 CRHBP (0.37) CRHBPCRHR2KEAP1NFE2L2ACHE

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