SCHEMBL11720670

SCHEMBL11720670

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

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.54
▸ GAA P10253 3/20 0.54
▸ HPGD P15428 2/20 0.54
▸ MAPT P10636 7/20 0.52
▸ KMT2A Q03164 6/20 0.52
▸ SMN1; SMN2 Q16637 3/20 0.52
▸ LMNA P02545 2/20 0.52
▸ CRHBP P24387 1/20 0.52
▸ CRHR2 Q13324 1/20 0.52
▸ MEN1 O00255 4/20 0.50
▸ ALOX12 P18054 2/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ CYP2C9 P11712 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ KDM4E B2RXH2 1/20 0.48
▸ HDAC1 Q13547 1/20 0.42

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
SCHEMBL11724774 0.91 ALDH1A1 (0.49) ALDH1A1GAAHPGDMAPTKMT2A
SCHEMBL11719928 0.81 KMT2A (0.51) ALDH1A1GAAHPGDMAPTKMT2A
SCHEMBL11727612 0.81 KDM4E (0.50) ALDH1A1GAAHPGDMAPTSMN1; SMN2
SCHEMBL28929258 0.80 ALDH1A1 (0.76) ALDH1A1GAAHPGDMAPTKMT2A
SCHEMBL11718597 0.78 GAA (0.48) ALDH1A1GAAHPGDMAPTKMT2A
SCHEMBL11723292 0.78 ALDH1A1 (0.47) ALDH1A1GAAHPGDMAPTKMT2A
SCHEMBL11723976 0.78 GAA (0.46) ALDH1A1GAAHPGDMAPTKMT2A
SCHEMBL11718691 0.78 GAA (0.50) ALDH1A1GAAMAPTKMT2ASMN1; SMN2
SCHEMBL11723147 0.77 ALDH1A1 (0.48) ALDH1A1GAAHPGDMAPTKMT2A
SCHEMBL11726559 0.75 GAA (0.45) ALDH1A1GAAMAPTKMT2ASMN1; 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 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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