SCHEMBL11665909

SCHEMBL11665909

CC(=O)OC(CCOc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])CSC(C)=O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ MAPT P10636 5/20 0.39
▸ KDM4E B2RXH2 3/20 0.39
▸ TTR P02766 2/20 0.39
▸ LMNA P02545 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ ALDH1A1 P00352 4/20 0.39
▸ ALPG P10696 1/20 0.38
▸ CYSLTR2 Q9NS75 1/20 0.38
▸ CYSLTR1 Q9Y271 1/20 0.38
▸ PRSS1 P07477 3/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ XDH P47989 1/20 0.37

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
SCHEMBL11664312 0.89 MAPT (0.40) MEN1KMT2ARAB9AMAPTKDM4E
SCHEMBL11662403 0.87 TTR (0.44) MEN1KMT2ARAB9AMAPTKDM4E
SCHEMBL11659747 0.86 RAB9A (0.42) MEN1KMT2ARAB9AMAPTKDM4E
SCHEMBL11666061 0.86 RAB9A (0.42) MEN1KMT2ARAB9AMAPTKDM4E
SCHEMBL11664401 0.86 RAB9A (0.42) MEN1KMT2ARAB9AMAPTKDM4E
SCHEMBL11662441 0.85 RAB9A (0.44) MEN1KMT2ARAB9AMAPTKDM4E
SCHEMBL11665109 0.83 MAPT (0.49) MEN1KMT2AMAPTKDM4EGAA
SCHEMBL11664232 0.83 RAB9A (0.50) MEN1KMT2ARAB9AMAPTKDM4E
SCHEMBL11662417 0.79 KMT2A (0.42) MEN1KMT2ARAB9AMAPTKDM4E
SCHEMBL11666196 0.78 TTR (0.46) MEN1KMT2ARAB9AMAPTKDM4E

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-4123614-A USED IN DETECTION AND MEASUREMENT OF BIOLOGICAL SYSTEMS AND/OR COMPONENTS SYNTEX (U.S.A.) INC. (US) 1978-10-31 — — US disclosed
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