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SCHEMBL25873188

SCHEMBL25873188

c1ccc2c(c1)Oc1c(cc(-c3ccccc3-c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4-c4cccc5cccc3c45)c3ccccc13)C21c2ccccc2-c2ccccc21

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ CASP1 P29466 1/20 0.31
▸ HIF1A Q16665 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ L3MBTL1 Q9Y468 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
SCHEMBL25853016 0.96 KDM4E (0.35) MAPK1KDM4EATM
SCHEMBL25872994 0.94 KDM4E (0.33) MAPK1KDM4EATM
SCHEMBL25873279 0.91 PDK2 (0.33) —
SCHEMBL25853293 0.89 KDM4E (0.35) MAPK1KDM4EATM
SCHEMBL25873278 0.88 PDK2 (0.30) —
SCHEMBL25873112 0.88 MAPK1 (0.35) MAPK1KDM4EATMALDH1A1HPGD
SCHEMBL25873276 0.87 DNMT1 (0.31) —
SCHEMBL25852341 0.86 MAPK1 (0.36) MAPK1KDM4EATMALDH1A1HPGD
SCHEMBL25850070 0.86 MAPK1 (0.38) MAPK1KDM4EATMALDH1A1HPGD
SCHEMBL25865463 0.86 PDK2 (0.33) —

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
WO-2023120714-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE 出光興産株式会社 2023-06-29 — — WO disclosed