SCHEMBL21365748

SCHEMBL21365748

c1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5cccc6c5sc5ccc(-c7ccc8sc9ccccc9c8c7)cc56)ccc43)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 1/20 0.48
▸ PRKDC P78527 3/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ ATM Q13315 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ LIMK1 P53667 1/20 0.36
▸ PIM3 Q86V86 2/20 0.35
▸ PARP14 Q460N5 1/20 0.33
▸ TSPO P30536 1/20 0.33
▸ HDAC4 P56524 1/20 0.33
▸ TNKS O95271 1/20 0.33
▸ TNKS2 Q9H2K2 1/20 0.33
▸ PIK3CD O00329 1/20 0.32
▸ BRD4 O60885 1/20 0.32
▸ PIK3CA P42336 1/20 0.32
▸ PIK3CB P42338 1/20 0.32
▸ MTOR P42345 1/20 0.32
▸ PIK3CG P48736 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ BRDT Q58F21 1/20 0.32

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
SCHEMBL18779501 0.95 ALOX5 (0.50) ALOX5PRKDCKDM4EATML3MBTL1
SCHEMBL17178931 0.95 ALOX5 (0.50) ALOX5PRKDCKDM4EATML3MBTL1
SCHEMBL26725335 0.95 ALOX5 (0.50) ALOX5PRKDCKDM4EATML3MBTL1
SCHEMBL10165700 0.95 ALOX5 (0.52) ALOX5PRKDCKDM4EATML3MBTL1
SCHEMBL26725349 0.94 ALOX5 (0.47) ALOX5PRKDCKDM4EATML3MBTL1
SCHEMBL24173851 0.94 ALOX5 (0.48) ALOX5PRKDCKDM4EATML3MBTL1
SCHEMBL18623538 0.94 ALOX5 (0.51) ALOX5PRKDCKDM4EATML3MBTL1
SCHEMBL14212279 0.94 ALOX5 (0.48) ALOX5PRKDCKDM4EATML3MBTL1
SCHEMBL10165742 0.94 ALOX5 (0.48) ALOX5PRKDCKDM4EATML3MBTL1
SCHEMBL17463587 0.94 ALOX5 (0.51) ALOX5PRKDCKDM4EATML3MBTL1

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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