SCHEMBL22969357

SCHEMBL22969357

c1ccc2c(c1)Sc1cccc3c(-c4c5ccccc5c(-c5ccccc5-c5cccc6ccccc56)c5ccccc45)ccc-2c13

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
TSHR P16473 2/20 0.37
MAPK1 P28482 2/20 0.37
HSD17B10 Q99714 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
CASP1 P29466 2/20 0.37
TYMS P04818 1/20 0.37
HPGD P15428 1/20 0.37
HIF1A Q16665 1/20 0.37
ANPEP P15144 1/20 0.36
DHFR P00374 1/20 0.36
ATM Q13315 1/20 0.36
DNMT1 P26358 2/20 0.35
MAPT P10636 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MEN1 O00255 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34

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
SCHEMBL22969196 0.99 ANPEP (0.36) ALDH1A1TSHRMAPK1HSD17B10L3MBTL1
SCHEMBL18012107 0.89 CRHBP (0.37) ALDH1A1TSHRMAPK1HSD17B10L3MBTL1
SCHEMBL16558558 0.88 CRHBP (0.36) ALDH1A1TSHRMAPK1HSD17B10L3MBTL1
SCHEMBL16558471 0.88 CRHBP (0.36) ALDH1A1TSHRMAPK1HSD17B10L3MBTL1
SCHEMBL22969348 0.87 ENPP3 (0.38) TYMSDHFRCA12CA1CA2
SCHEMBL22969195 0.86 ENPP3 (0.37) TYMSDHFRCA12CA1CA2
SCHEMBL22969347 0.85 CRHBP (0.34) ALDH1A1TSHRMAPK1HSD17B10L3MBTL1
SCHEMBL22969349 0.85 MCL1 (0.34) ALDH1A1TSHRMAPK1HSD17B10L3MBTL1
SCHEMBL22969461 0.85 PDCD1 (0.37) TYMSMAPTSMN1; SMN2RAB9ACRHBP
SCHEMBL22969194 0.84 CRHBP (0.33) MAPTSMN1; SMN2CRHBPCRHR2KEAP1

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-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
WO-2021025163-A1 ORGANIC ELECTROLUMINESCENT ELEMENT AND ELECTRONIC DEVICE USING SAME 出光興産株式会社 2021-02-11 WO disclosed