SCHEMBL4714730

SCHEMBL4714730

CC(=O)Oc1ccc(C)nc1C=Cc1ccccc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.46
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
MAPT P10636 6/20 0.45
AR P10275 1/20 0.45
ALDH1A1 P00352 6/20 0.44
RAB9A P51151 3/20 0.44
ATM Q13315 2/20 0.44
LMNA P02545 5/20 0.44
NPC1 O15118 3/20 0.44
GAA P10253 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42
MAOB P27338 1/20 0.42
POLB P06746 1/20 0.42
STAT3 P40763 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
SCHEMBL4714726 1.00 CYP19A1 (0.46) CYP19A1MEN1KMT2AMAPTAR
SCHEMBL4710055 0.83 KMT2A (0.44) MEN1KMT2AMAPTALDH1A1RAB9A
SCHEMBL4710053 0.83 KMT2A (0.44) MEN1KMT2AMAPTALDH1A1RAB9A
SCHEMBL4710786 0.81 MEN1 (0.54) CYP19A1MEN1KMT2AMAPTAR
SCHEMBL4710787 0.81 MEN1 (0.54) CYP19A1MEN1KMT2AMAPTAR
SCHEMBL4712062 0.80 RAB9A (0.48) CYP19A1MEN1KMT2AMAPTALDH1A1
SCHEMBL4712063 0.80 RAB9A (0.48) CYP19A1MEN1KMT2AMAPTALDH1A1
SCHEMBL7268783 0.77 MAPT (0.48) MEN1KMT2AMAPTALDH1A1RAB9A
SCHEMBL27496603 0.75 ALDH1A1 (0.44) CYP19A1MEN1KMT2AMAPTALDH1A1
SCHEMBL27496602 0.74 BACE1 (0.46) CYP19A1MEN1KMT2AMAPTALDH1A1

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