SCHEMBL11726559

SCHEMBL11726559

CC(C)C(=O)NC(=O)c1cncc([N+](=O)[O-])c1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 3/20 0.45
▸ KMT2A Q03164 6/20 0.45
▸ MEN1 O00255 5/20 0.45
▸ MAPT P10636 8/20 0.44
▸ ALDH1A1 P00352 5/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ POLB P06746 3/20 0.40
▸ RAB9A P51151 3/20 0.40
▸ CACNA1B Q00975 1/20 0.40
▸ APBA1 Q02410 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ ALOX12 P18054 1/20 0.39

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
SCHEMBL11719928 0.86 KMT2A (0.51) GAAKMT2AMEN1MAPTALDH1A1
SCHEMBL11718597 0.84 GAA (0.48) GAAKMT2AMEN1MAPTALDH1A1
SCHEMBL11718691 0.83 GAA (0.50) GAAKMT2AMEN1MAPTALDH1A1
SCHEMBL31226590 0.82 XDH (0.51) GAAKMT2AMEN1MAPTALDH1A1
SCHEMBL11721840 0.79 HTT (0.54) GAAKMT2AMEN1MAPTALDH1A1
SCHEMBL11725136 0.79 MAPT (0.54) GAAKMT2AMEN1MAPTALDH1A1
SCHEMBL11725373 0.78 MEN1 (0.53) GAAKMT2AMEN1MAPTALDH1A1
SCHEMBL11724774 0.78 ALDH1A1 (0.49) GAAKMT2AMEN1MAPTALDH1A1
SCHEMBL11723976 0.78 GAA (0.46) GAAKMT2AMEN1MAPTALDH1A1
SCHEMBL11724015 0.77 MAPT (0.44) GAAKMT2AMEN1MAPTALDH1A1

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-4053608-A 3-NITROPYRIDINE CARBOXAMIDES, POULTRY FEED SANKYO COMPANY LIMITED (JA) 1977-10-11 — — US claimed
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