SCHEMBL13187809

SCHEMBL13187809

CCCCOC(=O)c1cc(-c2ccc(-c3cccnc3)cc2)nc(Nc2ccccc2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ LMNA P02545 3/20 0.46
▸ KDM4E B2RXH2 3/20 0.46
▸ MAPT P10636 3/20 0.46
▸ NPSR1 Q6W5P4 3/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ HTT P42858 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ CYP3A4 P08684 2/20 0.46
▸ CYP2D6 P10635 2/20 0.46
▸ CYP2C9 P11712 2/20 0.46
▸ CYP2C19 P33261 2/20 0.46
▸ CYP19A1 P11511 1/20 0.46
▸ ABL1 P00519 5/20 0.45
▸ PRKCA P17252 3/20 0.45
▸ PRKCD Q05655 2/20 0.45
▸ SRC P12931 2/20 0.45

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
SCHEMBL13188766 0.79 ABL1 (0.52) LMNAMAPTMEN1KMT2ACYP2C9
SCHEMBL3713386 0.79 L3MBTL1 (0.46) L3MBTL1LMNAMAPTMEN1ALDH1A1
SCHEMBL3714807 0.78 CA12 (0.46) L3MBTL1KDM4EMAPTMEN1ALDH1A1
SCHEMBL3714227 0.78 TSHR (0.45) L3MBTL1LMNAKDM4EMAPTMEN1
SCHEMBL3713780 0.78 TSHR (0.45) L3MBTL1KDM4EMAPTALDH1A1HTT
SCHEMBL13188764 0.76 POLB (0.50) L3MBTL1LMNAHTTCYP3A4CYP2D6
SCHEMBL30925065 0.76 ADORA1 (0.52) L3MBTL1LMNAKDM4EMAPTMEN1
SCHEMBL29214320 0.76 ADORA1 (0.52) L3MBTL1LMNAKDM4EMAPTMEN1
SCHEMBL3713958 0.75 L3MBTL1 (0.42) L3MBTL1LMNAKDM4EMAPTMEN1
SCHEMBL3713408 0.72 L3MBTL1 (0.39) L3MBTL1LMNAMAPTMEN1ALDH1A1

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
WO-2010100475-A1 HYDROXAMIC ACID DERIVATIVES AS GRAM-NEGATIVE ANTIBACTERIAL AGENTS ASTRAZENECA AB (SE) 2010-09-10 — — WO disclosed
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