SCHEMBL18712259

SCHEMBL18712259

CCC(CN(OC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)NC(=O)c1ccc(C#Cc2ccc(CN3CCOCC3)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CACNA1B Q00975 1/20 0.43
▸ APBA1 Q02410 1/20 0.43
▸ SAE1 Q9UBE0 1/20 0.43
▸ UBA2 Q9UBT2 1/20 0.43
▸ KMT2A Q03164 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ MAPK1 P28482 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ STAT3 P40763 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ HIF1A Q16665 1/20 0.41
▸ EPAS1 Q99814 1/20 0.41

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
SCHEMBL3013865 0.92 KMT2A (0.41) CACNA1BAPBA1SAE1UBA2KMT2A
SCHEMBL3002056 0.84 KMT2A (0.53) CACNA1BAPBA1SAE1UBA2KMT2A
SCHEMBL13984508 0.76 KMT2A (0.56) KMT2AMAPK1SMN1; SMN2LMNAMAPT
SCHEMBL13245364 0.74 KMT2A (0.54) CACNA1BAPBA1SAE1UBA2KMT2A
SCHEMBL3013062 0.73 KMT2A (0.47) CACNA1BAPBA1SAE1UBA2KMT2A
SCHEMBL3022019 0.73 CACNA1B (0.46) CACNA1BAPBA1SAE1UBA2L3MBTL1
SCHEMBL3022024 0.73 CACNA1B (0.46) CACNA1BAPBA1SAE1UBA2L3MBTL1
SCHEMBL13244990 0.72 KMT2A (0.53) CACNA1BAPBA1SAE1UBA2KMT2A
SCHEMBL3012858 0.72 — —
SCHEMBL13245463 0.72 KMT2A (0.52) CACNA1BAPBA1SAE1UBA2KMT2A

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
US-9617256-B2 Antibacterial agents ACHAOGEN, INC. (US) 2017-04-11 — — US disclosed
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