SCHEMBL21365568

SCHEMBL21365568

CC1(C)c2ccccc2-c2ccc(-c3nc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7ccccc7)c6c54)nc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7ccccc7)c6c54)n3)cc21

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.35
▸ ATM Q13315 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ DUSP3 P51452 1/20 0.31
▸ PTGER4 P35408 1/20 0.31
▸ PGR P06401 1/20 0.30
▸ MAPK1 P28482 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ RXFP1 Q9HBX9 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
SCHEMBL16521246 0.98 KDM4E (0.35) KDM4EATML3MBTL1DUSP3PTGER4
SCHEMBL15625688 0.96 KDM4E (0.33) KDM4EATML3MBTL1DUSP3PTGER4
SCHEMBL30022429 0.96 KDM4E (0.33) KDM4EATML3MBTL1DUSP3PTGER4
SCHEMBL24959926 0.95 KDM4E (0.33) KDM4EATML3MBTL1
SCHEMBL26059630 0.94 KDM4E (0.31) KDM4EATML3MBTL1DUSP3
SCHEMBL24959920 0.93 PDK2 (0.32) KDM4EATML3MBTL1DUSP3RXFP1
SCHEMBL24691492 0.93 PDK2 (0.31) KDM4EATML3MBTL1
SCHEMBL16521279 0.93 KDM4E (0.35) KDM4EATML3MBTL1DUSP3PTGER4
SCHEMBL26059653 0.92 DUSP3 (0.31) DUSP3
SCHEMBL26055104 0.92 DUSP3 (0.31) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3767698-B1 ORGANIC ELECTROLUMINESCENT ELEMENT NIPPON STEEL CHEMICAL & MAT CO LTD (JP) 2023-10-25 — — EP disclosed
US-20210119144-A1 ORGANIC ELECTROLUMINESCENT ELEMENT NIPPON STEEL CHEMICAL & MATERIAL CO., LTD. (JP) 2021-04-22 — — US disclosed
EP-3767698-A1 ORGANIC ELECTROLUMINESCENT ELEMENT NIPPON STEEL Chemical & Material Co., Ltd. (JP) 2021-01-20 — — EP disclosed
WO-2019176605-A1 ORGANIC ELECTROLUMINESCENT ELEMENT 日鉄ケミカル&マテリアル株式会社 2019-09-19 — — WO disclosed
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