SCHEMBL6777277

SCHEMBL6777277

COc1ccc2c(c1)nc([S@@+]([O-])Cc1ncc(C)c(OC)c1C)n2COC(=O)CCCO[N+](=O)[O-]

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.36
MEN1 O00255 1/20 0.36
PTGS1 P23219 5/20 0.34
CYP2C9 P11712 2/20 0.34
WDR5 P61964 2/20 0.34
BRS3 P32247 2/20 0.34
ATP1A1 P05023 2/20 0.34
ATP1B1 P05026 2/20 0.34
ATP1A3 P13637 2/20 0.34
ATP1B2 P14415 2/20 0.34
ATP4A P20648 2/20 0.34
ATP1A2 P50993 2/20 0.34
ATP4B P51164 2/20 0.34
ATP1B3 P54709 2/20 0.34
FXYD2 P54710 2/20 0.34
ATP1A4 Q13733 2/20 0.34
KDM4E B2RXH2 1/20 0.34
DDAH1 O94760 1/20 0.34
ABCB11 O95342 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL6768384 0.88 KMT2A (0.41) KMT2AMEN1PTGS1CYP2C9WDR5
SCHEMBL6772040 0.88 KMT2A (0.41) KMT2AMEN1PTGS1CYP2C9WDR5
SCHEMBL9264132 0.83 KMT2A (0.40) KMT2AMEN1PTGS1CYP2C9WDR5
SCHEMBL6773081 0.82 KMT2A (0.43) KMT2AMEN1PTGS1CYP2C9WDR5
SCHEMBL6771448 0.82 KMT2A (0.43) KMT2AMEN1PTGS1CYP2C9WDR5
SCHEMBL10512130 0.79 KMT2A (0.41) KMT2AMEN1PTGS1CYP2C9WDR5
SCHEMBL29474363 0.79 KMT2A (0.43) KMT2AMEN1PTGS1CYP2C9WDR5
SCHEMBL7844981 0.78 KMT2A (0.43) KMT2AMEN1PTGS1CYP2C9WDR5
SCHEMBL9269042 0.77 ALDH1A1 (0.42) KMT2AMEN1PTGS1CYP2C9WDR5
SCHEMBL7841182 0.76 KMT2A (0.42) KMT2AMEN1PTGS1CYP2C9WDR5

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-6673819-B2 NITRIC OXIDE RELEASING COMPOUND ASTRAZENECA AB (SE) 2004-01-06 US claimed