Pyridine

Pyridine

SCHEMBL28517154

O=[N+]([O-])c1ccc2[nH]ccc2c1.c1ccncc1

nearest known ligand 0.48

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.48
NOS1 P29475 2/20 0.48
POLB P06746 1/20 0.48
MAOB P27338 1/20 0.48
CYP19A1 P11511 2/20 0.47
HPGD P15428 1/20 0.46
NPC1 O15118 4/20 0.44
PKN1 Q16512 1/20 0.44
PKN2 Q16513 1/20 0.44
RAB9A P51151 3/20 0.43
CYP3A4 P08684 2/20 0.42
NAMPT P43490 1/20 0.42
XDH P47989 1/20 0.42
NPBWR1 P48145 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KDM4E B2RXH2 1/20 0.41
METAP1 P53582 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
LMNA P02545 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
SCHEMBL28686 0.87 MAPT (0.54) MAPTNOS1POLBMAOBCYP19A1
SCHEMBL30597526 0.87 MAPT (0.54) MAPTNOS1POLBMAOBCYP19A1
Methane SCHEMBL27929615 0.86 MAPT (0.53) MAPTNOS1POLBMAOBCYP19A1
Ammonia Solution, Strong SCHEMBL28394313 0.86 MAPT (0.53) MAPTNOS1POLBMAOBCYP19A1
Acetic Acid SCHEMBL28007455 0.82 POLB (0.48) MAPTNOS1POLBMAOBCYP19A1
Pyrimidine SCHEMBL28222787 0.81 MAPT (0.49) MAPTNOS1POLBMAOBHPGD
Phosphoric Acid SCHEMBL594274 0.80 MAPT (0.47) MAPTNOS1POLBMAOBCYP19A1
SCHEMBL21359704 0.79 MAPT (0.46) MAPTNOS1POLBMAOBCYP19A1
Acrylic Acid SCHEMBL29048066 0.78 MAPT (0.43) MAPTNOS1POLBMAOBCYP19A1
Propionic Acid SCHEMBL27602614 0.78 POLB (0.45) MAPTNOS1POLBMAOBCYP19A1

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
CN-112209915-A Method for air oxidation of N-pyridine indoline compounds 宁波大学 2021-01-12 CN disclosed