SCHEMBL21365528

SCHEMBL21365528

CC1(C)c2ccccc2-c2cc(-c3ccc4c(c3)-c3cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc(-c6ccccc6)cc5)ccc3C4(C)C)ccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 2/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ TSPO P30536 3/20 0.38
▸ HDAC4 P56524 1/20 0.38
▸ PDK2 Q15119 1/20 0.34
▸ GSK3B P49841 1/20 0.33
▸ RXRA P19793 1/20 0.33
▸ RXRB P28702 1/20 0.33
▸ PTGER4 P35408 1/20 0.32
▸ RAC2 P15153 1/20 0.32
▸ RAC3 P60763 1/20 0.32
▸ CDC42 P60953 1/20 0.32
▸ RAC1 P63000 1/20 0.32
▸ PGR P06401 2/20 0.32
▸ NPY5R Q15761 1/20 0.32
▸ AKR1C4 P17516 1/20 0.32
▸ AKR1C3 P42330 1/20 0.32
▸ AKR1C2 P52895 1/20 0.32
▸ AKR1C1 Q04828 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
SCHEMBL17206557 1.00 ATM (0.41) ATML3MBTL1KDM4ETSPOHDAC4
SCHEMBL21578696 1.00 ATM (0.41) ATML3MBTL1KDM4ETSPOHDAC4
SCHEMBL17736985 0.98 KDM4E (0.39) ATML3MBTL1KDM4ETSPOHDAC4
SCHEMBL17178647 0.98 L3MBTL1 (0.44) ATML3MBTL1KDM4ETSPOHDAC4
SCHEMBL16641550 0.96 KDM4E (0.40) ATML3MBTL1KDM4ETSPOHDAC4
SCHEMBL21365472 0.96 PDK2 (0.36) ATML3MBTL1KDM4ETSPOHDAC4
SCHEMBL262749 0.95 KDM4E (0.37) ATML3MBTL1KDM4ETSPOHDAC4
SCHEMBL17227642 0.95 KDM4E (0.46) ATML3MBTL1KDM4ETSPOHDAC4
SCHEMBL13433032 0.94 KDM4E (0.38) ATML3MBTL1KDM4ETSPOHDAC4
SCHEMBL17809418 0.94 KDM4E (0.43) ATML3MBTL1KDM4ETSPOHDAC4

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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