SCHEMBL4710779

SCHEMBL4710779

CC(=O)Oc1ccc([N+](=O)[O-])cc1C=Cc1cccc(C)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 11/20 0.49
KMT2A Q03164 11/20 0.49
MAPT P10636 10/20 0.49
ALDH1A1 P00352 3/20 0.49
HPGD P15428 3/20 0.49
POLB P06746 2/20 0.49
NPC1 O15118 6/20 0.48
RAB9A P51151 6/20 0.48
HTT P42858 5/20 0.48
NPSR1 Q6W5P4 4/20 0.48
TDP1 Q9NUW8 3/20 0.48
RECQL P46063 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C19 P33261 1/20 0.48
LMNA P02545 6/20 0.47
SMN1; SMN2 Q16637 5/20 0.47
GAA P10253 2/20 0.47
L3MBTL1 Q9Y468 2/20 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
SCHEMBL4710778 1.00 MEN1 (0.49) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL4713488 0.81 MEN1 (0.51) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL4714503 0.81 MEN1 (0.68) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL4714501 0.81 MEN1 (0.68) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL4713486 0.81 MEN1 (0.51) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL4710221 0.81 ERN1 (0.51) MEN1KMT2AMAPTALDH1A1POLB
SCHEMBL4710222 0.81 ERN1 (0.51) MEN1KMT2AMAPTALDH1A1POLB
SCHEMBL4712500 0.80 MAPT (0.48) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL4712501 0.80 MAPT (0.48) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL4715311 0.80 MEN1 (0.52) MEN1KMT2AMAPTALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
CN-1203060-C Pyridine derivatives, compositions and uses thereof NOVARTIS AG (CH) 2005-05-25 CN disclosed
US-6656957-B1 Marked and selective modulating, especially antagonistic, action at human metabotropic glutamate receptors (mGluRs); treatment of disorders such as epilepsy, cerebral ischemias, especially acute ischemias, spasticity etc. NOVARTIS AG (CH) 2003-12-02 US disclosed
CN-1262676-A Pyridine derivatives NOVARTIS AG (CH) 2000-08-09 CN disclosed