SCHEMBL21365778

SCHEMBL21365778

c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5ccc6c(c7ccccc7n6-c6ccc7oc8ccccc8c7c6)c54)cc3)n2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.34
ATM Q13315 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CHEK2 O96017 1/20 0.32
PTPN1 P18031 1/20 0.32
ALDH1A1 P00352 2/20 0.31
MAPT P10636 2/20 0.31
HPGD P15428 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
SIRT2 Q8IXJ6 1/20 0.31
SIRT1 Q96EB6 1/20 0.31
TSHR P16473 1/20 0.30
PTGER4 P35408 1/20 0.30
RAC2 P15153 1/20 0.30
RAC3 P60763 1/20 0.30
CDC42 P60953 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
SCHEMBL21365904 1.00 KDM4E (0.34) KDM4EATML3MBTL1CHEK2PTPN1
SCHEMBL26146643 0.96 KDM4E (0.35) KDM4EATML3MBTL1SIRT2SIRT1
SCHEMBL22486636 0.96 KDM4E (0.35) KDM4EATML3MBTL1SIRT2SIRT1
SCHEMBL26473039 0.96 KDM4E (0.37) KDM4EATML3MBTL1CHEK2ALDH1A1
SCHEMBL17109027 0.96 KDM4E (0.34) KDM4EATML3MBTL1CHEK2ALDH1A1
SCHEMBL24078351 0.96 KDM4E (0.37) KDM4EATML3MBTL1CHEK2PTPN1
SCHEMBL21365923 0.96 KDM4E (0.37) KDM4EATML3MBTL1CHEK2ALDH1A1
SCHEMBL25964686 0.96 KDM4E (0.37) KDM4EATML3MBTL1CHEK2PTPN1
SCHEMBL21365566 0.96 KDM4E (0.33) KDM4EATML3MBTL1CHEK2RAC2
SCHEMBL17809361 0.95 MEN1 (0.33) KDM4EATML3MBTL1CHEK2PTPN1

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 6 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-11374178-B2 Organic electroluminescent element NIPPON STEEL CHEMICAL & MATERIAL CO., LTD. (JP) 2022-06-28 US 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
EP-3605634-A1 ORGANIC ELECTROLUMINESCENT ELEMENT NIPPON STEEL Chemical & Material Co., Ltd. (JP) 2020-02-05 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