SCHEMBL21365472

SCHEMBL21365472

CC1(C)c2ccccc2-c2cc(-c3ccc4c(c3)c3cc(-c5ccc6c(c5)-c5ccccc5C6(C)C)ccc3n4-c3ccc(-c4ccccc4)cc3)ccc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 4/20 0.36
▸ PGR P06401 5/20 0.34
▸ ATM Q13315 2/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ TSPO P30536 1/20 0.33
▸ HDAC4 P56524 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ APAF1 O14727 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ XBP1 P17861 1/20 0.33
▸ PTBP1 P26599 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ GALK1 P51570 1/20 0.33
▸ BLM P54132 1/20 0.33
▸ SMAD3 P84022 1/20 0.33

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
SCHEMBL21365528 0.96 ATM (0.41) PDK2PGRATML3MBTL1KDM4E
SCHEMBL17206557 0.96 ATM (0.41) PDK2PGRATML3MBTL1KDM4E
SCHEMBL21578696 0.96 ATM (0.41) PDK2PGRATML3MBTL1KDM4E
SCHEMBL17736985 0.94 KDM4E (0.39) PDK2PGRATML3MBTL1KDM4E
SCHEMBL262850 0.94 PDK2 (0.33) PDK2PGRATML3MBTL1KDM4E
SCHEMBL17178647 0.94 L3MBTL1 (0.44) PDK2PGRATML3MBTL1KDM4E
SCHEMBL16641550 0.93 KDM4E (0.40) PDK2PGRATML3MBTL1KDM4E
SCHEMBL14960765 0.92 PDK2 (0.35) PDK2PGRATML3MBTL1KDM4E
SCHEMBL14822263 0.92 PDK2 (0.35) PDK2PGRATML3MBTL1KDM4E
SCHEMBL14822514 0.92 PDK2 (0.35) PDK2PGRATML3MBTL1KDM4E

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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