SCHEMBL21365566

SCHEMBL21365566

c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4oc5ccc(-n6c7ccccc7c7c6ccc6c8ccccc8n(-c8ccc9oc%10ccc(-c%11nc(-c%12ccccc%12)nc(-c%12ccccc%12)n%11)cc%10c9c8)c67)cc5c4c3)n2)cc1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CHEK2 O96017 1/20 0.31
RAC2 P15153 1/20 0.31
RAC3 P60763 1/20 0.31
CDC42 P60953 1/20 0.31
RAC1 P63000 1/20 0.31
EDNRB P24530 1/20 0.31
EDNRA P25101 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
SCHEMBL26473039 0.98 KDM4E (0.37) KDM4EATML3MBTL1CHEK2RAC2
SCHEMBL21365923 0.98 KDM4E (0.37) KDM4EATML3MBTL1CHEK2RAC2
SCHEMBL21365904 0.96 KDM4E (0.34) KDM4EATML3MBTL1CHEK2RAC2
SCHEMBL21365778 0.96 KDM4E (0.34) KDM4EATML3MBTL1CHEK2RAC2
SCHEMBL26841820 0.96 KDM4E (0.31) KDM4EATML3MBTL1CHEK2RAC2
SCHEMBL25009422 0.95 KDM4E (0.32) KDM4EATML3MBTL1
SCHEMBL26473032 0.95 KDM4E (0.32) KDM4EATML3MBTL1
SCHEMBL22486636 0.94 KDM4E (0.35) KDM4EATML3MBTL1
SCHEMBL26146643 0.94 KDM4E (0.35) KDM4EATML3MBTL1
SCHEMBL24078351 0.94 KDM4E (0.37) KDM4EATML3MBTL1CHEK2

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