SCHEMBL27993401

SCHEMBL27993401

CCNc1nc(N(CC)C(=O)c2c(Cl)cccc2Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PGK1 P00558 1/20 0.43
MAPT P10636 6/20 0.42
ALDH1A1 P00352 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HTT P42858 1/20 0.38
TRPM8 Q7Z2W7 1/20 0.35
MAPK14 Q16539 2/20 0.35
LMNA P02545 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
GPBAR1 Q8TDU6 1/20 0.34
PRKCQ Q04759 1/20 0.34
MAPK1 P28482 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
VCAM1 P19320 1/20 0.33

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
SCHEMBL27993398 0.85 ALDH1A1 (0.44) MAPTALDH1A1SMN1; SMN2HTTTRPM8
SCHEMBL27993161 0.77 PGK1 (0.45) PGK1MAPTSMN1; SMN2LMNAMEN1
SCHEMBL30154422 0.71 MAPT (0.67) PGK1MAPTHTTMAPK1L3MBTL1
SCHEMBL1978817 0.71 MAPT (0.67) PGK1MAPTHTTMAPK1L3MBTL1
SCHEMBL27993155 0.70 CYP1A2 (0.51) PGK1MAPTSMN1; SMN2LMNAMEN1
SCHEMBL27993397 0.68 PGK1 (0.45) PGK1MAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL11651996 0.67 PGK1 (0.50) PGK1MAPTMAPK1L3MBTL1
SCHEMBL13964060 0.67 PGK1 (0.50) PGK1MAPTALDH1A1LMNAMAPK1
SCHEMBL28946168 0.67 MAPT (0.60) PGK1MAPTHTTMAPK1L3MBTL1
SCHEMBL28489675 0.66 TXNRD1 (0.57) PGK1MAPTHTTMAPK1

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
CN-104163791-A N-pyridine (hetero) aryl amide compound and preparation method and application thereof HUNAN RES INST CHEMICAL IND 2014-11-26 CN claimed
CN-104163791-A N-pyridine (hetero) aryl amide compound and preparation method and application thereof HUNAN RES INST CHEMICAL IND 2014-11-26 CN disclosed