SCHEMBL11723606

SCHEMBL11723606

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.41
▸ ATM Q13315 1/20 0.40
▸ KMT2A Q03164 4/20 0.39
▸ MAPT P10636 3/20 0.39
▸ HPGD P15428 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ HTT P42858 2/20 0.39
▸ BCHE P06276 1/20 0.37
▸ ACHE P22303 1/20 0.37
▸ ALOX5 P09917 1/20 0.37
▸ PTGS1 P23219 1/20 0.37
▸ PTGS2 P35354 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36

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
SCHEMBL11728283 0.87 ALDH1A1 (0.46) GAAKMT2AMAPTHPGDMEN1
SCHEMBL11724515 0.84 KMT2A (0.50) GAAATMKMT2AMAPTHPGD
SCHEMBL11720739 0.77 ALDH1A1 (0.39) GAAATMKMT2AMAPTHPGD
SCHEMBL2570620 0.76 KMT2A (0.55) KMT2AMAPTHTTNPC1CYP3A4
SCHEMBL12678010 0.76 HCAR2 (0.55) ATMKMT2AHPGDMEN1ALDH1A1
SCHEMBL27884533 0.76 ALDH1A1 (0.57) ATMKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL287220 0.76 ALDH1A1 (0.56) GAAKMT2AMAPTHPGDMEN1
SCHEMBL29960870 0.75 NPC1 (0.61) GAAKMT2AMAPTHPGDALDH1A1
SCHEMBL29083934 0.75 NPC1 (0.61) GAAKMT2AMAPTHPGDALDH1A1
SCHEMBL31226521 0.75 GAA (0.50) GAAATMKMT2AMAPTHPGD

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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