SCHEMBL2777418

SCHEMBL2777418

CN(CCC1Cc2cc([N+](=O)[O-])ccc2NC1=O)C(=O)Oc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
GAA P10253 1/20 0.39
MAPT P10636 3/20 0.39
MAPK1 P28482 1/20 0.39
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
SIRT2 Q8IXJ6 1/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNA4 P43681 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
SCHEMBL2776959 0.80 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2GAAMAPTMAPK1
SCHEMBL2777530 0.77 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2GAAMAPTMAPK1
SCHEMBL2776745 0.76 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2GAAMAPTMAPK1
SCHEMBL1016536 0.72 MAPT (0.43) ALDH1A1GAAMAPTMAPK1MEN1
SCHEMBL2675214 0.71 GRIN1 (0.46) ALDH1A1SMN1; SMN2GAAMEN1KMT2A
SCHEMBL2777018 0.70 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2GAA
SCHEMBL2674620 0.69 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2GAAMAPTMAPK1
SCHEMBL16333559 0.69 ALDH1A1 (0.42) ALDH1A1GAAMEN1KMT2ASIRT2
SCHEMBL2673783 0.68 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2GAAMAPTMAPK1
SCHEMBL30100720 0.68 PNMT (0.50) ALDH1A1SMN1; SMN2GAAMEN1KMT2A

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
EP-2139886-A1 QUINOLONE AND TETRAHYDROQUINOLINE AND RELATED COMPOUNDS HAVING NOS INHIBITORY ACTIVITY Neuraxon Inc. (CA) 2010-01-06 EP disclosed
WO-2008116308-A1 QUINOLONE AND TETRAHYDROQUINOLINE AND RELATED COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NEURAXON, INC. (CA) 2008-10-02 WO disclosed