SCHEMBL27972730

SCHEMBL27972730

CC(=O)Oc1cnccc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
KMT2A Q03164 4/20 0.43
MEN1 O00255 2/20 0.41
RAB9A P51151 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
HTT P42858 3/20 0.40
GAA P10253 2/20 0.40
POLB P06746 1/20 0.39
ALDH1A1 P00352 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 2/20 0.39
NPC1 O15118 1/20 0.39
MLNR O43193 1/20 0.39
NR1I2 O75469 1/20 0.39
ABCB11 O95342 1/20 0.39
TP53 P04637 1/20 0.39
ADRB2 P07550 1/20 0.39
CHRM2 P08172 1/20 0.39

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
SCHEMBL2241497 0.80 ALDH1A1 (0.56) MAPTCYP1A2CYP2C9KMT2AMEN1
SCHEMBL30520310 0.76 ALDH1A1 (0.61) MAPTCYP1A2CYP2C9KMT2AMEN1
SCHEMBL8560647 0.76 HTT (0.50) MAPTCYP1A2CYP2C9KMT2AL3MBTL1
SCHEMBL471777 0.76 ALDH1A1 (0.61) MAPTCYP1A2CYP2C9KMT2AMEN1
SCHEMBL9853813 0.76 KMT2A (0.49) MAPTCYP1A2CYP2C9KMT2AMEN1
SCHEMBL28087330 0.75 ALDH1A1 (0.50) MAPTCYP1A2CYP2C9KMT2AMEN1
SCHEMBL28797610 0.75 MAPT (0.47) MAPTCYP1A2CYP2C9KMT2AMEN1
SCHEMBL25329772 0.75 ALDH1A1 (0.59) MAPTCYP1A2CYP2C9KMT2AMEN1
SCHEMBL27372762 0.75 ALDH1A1 (0.59) MAPTCYP1A2CYP2C9KMT2AMEN1
SCHEMBL10953461 0.74 TDP1 (0.47) KMT2ARAB9AHTTGAAPOLB

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-104016912-B The synthesis separating and purifying method of 6-nitro-3-hydroxyl-2-pyridine carboxylic acid XIHUA UNIVERSITY (CN) 2015-10-21 CN disclosed
CN-104016912-A Synthesizing, separating and purifying method for 6-nitryl-3-hydroxyl-2-pyridinecarboxylic acid UNIV XIHUA 2014-09-03 CN disclosed