SCHEMBL29264728

SCHEMBL29264728

CCCOC(=O)n1ccnc1NC(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CYP17A1 P05093 2/20 0.36
▸ ATR Q13535 1/20 0.35
▸ BRD4 O60885 1/20 0.35
▸ SREBF2 Q12772 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ GLA P06280 1/20 0.33
▸ MAPKAPK2 P49137 3/20 0.32
▸ FPR2 P25090 1/20 0.32
▸ MAPK14 Q16539 1/20 0.32
▸ L3MBTL1 Q9Y468 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
SCHEMBL26086457 0.91 BRD4 (0.39) CYP17A1ATRBRD4MAPKAPK2L3MBTL1
SCHEMBL13326810 0.85 ATR (0.40) CYP17A1ATRBRD4
SCHEMBL4055215 0.83 L3MBTL1 (0.46) KDM4EGLAL3MBTL1
SCHEMBL27529178 0.76 CYP17A1 (0.43) CYP17A1ATRBRD4SREBF2MAPKAPK2
SCHEMBL15742209 0.74 FDPS (0.43) CYP17A1ATRBRD4MAPK14L3MBTL1
SCHEMBL28832247 0.74 KDM4E (0.39) BRD4KDM4EFPR2L3MBTL1
SCHEMBL164500 0.72 JMJD6 (0.38) KDM4EGLA
SCHEMBL29817418 0.71 HSP90AA1 (0.34) BRD4
SCHEMBL31420700 0.71 BCHE (0.43) BRD4
SCHEMBL29264691 0.71 CA12 (0.46) BRD4KDM4E

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118019750-A Drug delivery system for local delivery of therapeutic agents and uses thereof 上海椿安生物医药科技有限公司 2024-05-10 — — CN disclosed
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