SCHEMBL11501439

SCHEMBL11501439

Cc1ccc([N+](=O)[O-])c(Nc2ccc(O)c3cccc(S(=O)(=O)O)c23)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SNCA P37840 2/20 0.50
CHAT P28329 1/20 0.42
ATIC P31939 1/20 0.42
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
GAA P10253 1/20 0.40
G6PD P11413 1/20 0.40
THRB P10828 1/20 0.40
MAP1LC3B Q9GZQ8 1/20 0.40
DNMT1 P26358 1/20 0.40
DNMT3A Q9Y6K1 1/20 0.40
KCNMA1 Q12791 2/20 0.39
CTSB P07858 1/20 0.39
FBP1 P09467 1/20 0.39
MPL P40238 1/20 0.39
AKR1C4 P17516 1/20 0.38
AKR1C3 P42330 1/20 0.38
AKR1C2 P52895 1/20 0.38
AKR1C1 Q04828 1/20 0.38
MAPT P10636 2/20 0.38

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
SCHEMBL11501438 0.84 SNCA (0.52) SNCACHATATICMEN1KMT2A
SCHEMBL11431851 0.82 KCNMA1 (0.53) SNCAMEN1KMT2AGAAKCNMA1
SCHEMBL11422144 0.80 KCNMA1 (0.48) MEN1KMT2AGAAKCNMA1MAPT
SCHEMBL10422834 0.79 CTSB (0.54) ATICMEN1KMT2ATHRBDNMT1
SCHEMBL11433946 0.78 KCNMA1 (0.52) SNCAMEN1KMT2AGAAKCNMA1
SCHEMBL11424951 0.78 KCNMA1 (0.51) MEN1KMT2AGAAKCNMA1MAPT
SCHEMBL11431691 0.76 KCNMA1 (0.54) SNCAMEN1KMT2AGAAKCNMA1
SCHEMBL11431850 0.76 HPGD (0.62) MEN1KMT2AGAAMAPTSMN1; SMN2
SCHEMBL11426568 0.74 KCNMA1 (0.54) MEN1KMT2AGAAKCNMA1MAPT
SCHEMBL5692741 0.74 CTSB (0.54) ATICMEN1KMT2AGAACTSB

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-4216166-A Nitro precursors to amine precursors to ureide inhibitors of connective tissue destruction AMERICAN CYANAMID COMPANY (US) 1980-08-05 US disclosed