SCHEMBL11719928

SCHEMBL11719928

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

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.51
▸ MAPT P10636 4/20 0.51
▸ MEN1 O00255 4/20 0.51
▸ GAA P10253 3/20 0.49
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ POLB P06746 2/20 0.47
▸ CACNA1B Q00975 1/20 0.47
▸ APBA1 Q02410 1/20 0.47
▸ ALDH1A1 P00352 3/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ CYP3A4 P08684 1/20 0.43
▸ ALOX5 P09917 1/20 0.41
▸ HPGD P15428 1/20 0.41

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
SCHEMBL11725373 0.91 MEN1 (0.53) KMT2AMAPTMEN1GAASMN1; SMN2
SCHEMBL11718597 0.90 GAA (0.48) KMT2AMAPTMEN1GAASMN1; SMN2
SCHEMBL11718691 0.90 GAA (0.50) KMT2AMAPTMEN1GAASMN1; SMN2
SCHEMBL11721840 0.88 HTT (0.54) KMT2AMAPTMEN1GAASMN1; SMN2
SCHEMBL11724335 0.88 FLT1 (0.49) KMT2AMAPTMEN1GAASMN1; SMN2
SCHEMBL11725136 0.88 MAPT (0.54) KMT2AMAPTMEN1GAASMN1; SMN2
SCHEMBL11724015 0.86 MAPT (0.44) KMT2AMAPTMEN1GAASMN1; SMN2
SCHEMBL11726559 0.86 GAA (0.45) KMT2AMAPTMEN1GAASMN1; SMN2
SCHEMBL11723169 0.85 ALOX5 (0.54) KMT2AMAPTMEN1GAASMN1; SMN2
SCHEMBL11724774 0.84 ALDH1A1 (0.49) KMT2AMAPTMEN1GAASMN1; SMN2

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