SCHEMBL4710786

SCHEMBL4710786

CC(=O)Oc1ccc(/C=C/c2ccccc2[N+](=O)[O-])nc1C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 11/20 0.54
KMT2A Q03164 11/20 0.54
NPC1 O15118 7/20 0.54
RAB9A P51151 7/20 0.54
MAPT P10636 12/20 0.53
LMNA P02545 5/20 0.53
SMN1; SMN2 Q16637 5/20 0.53
ALDH1A1 P00352 5/20 0.53
HTT P42858 3/20 0.53
GAA P10253 2/20 0.53
HPGD P15428 2/20 0.48
POLB P06746 2/20 0.48
NPSR1 Q6W5P4 4/20 0.47
TDP1 Q9NUW8 3/20 0.47
AGTR1 P30556 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47
RECQL P46063 1/20 0.47

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
SCHEMBL4710787 1.00 MEN1 (0.54) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL4714730 0.81 CYP19A1 (0.46) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL4714726 0.81 CYP19A1 (0.46) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL4711329 0.80 RAB9A (0.61) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL4711331 0.80 RAB9A (0.61) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL4712607 0.80 KMT2A (0.49) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL4712605 0.80 KMT2A (0.49) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL7266628 0.77 RAB9A (0.54) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL27496277 0.75 RAB9A (0.55) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL4711230 0.74 KMT2A (0.54) MEN1KMT2ANPC1RAB9AMAPT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0998459-B1 PYRIDINE DERIVATIVES NOVARTIS AG (CH) 2008-04-23 EP claimed
EP-0998459-A2 PYRIDINE DERIVATIVES Novartis AG (CH) 2000-05-10 EP claimed
WO-1999002497-A2 PYRIDINE DERIVATIVES NOVARTIS AG (CH) 1999-01-21 WO claimed
EP-0998459-B1 PYRIDINE DERIVATIVES NOVARTIS AG (CH) 2008-04-23 EP disclosed