SCHEMBL4711331

SCHEMBL4711331

Cc1nc(C=Cc2ccccc2[N+](=O)[O-])ccc1O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.61
KMT2A Q03164 6/20 0.61
NPC1 O15118 5/20 0.61
MEN1 O00255 5/20 0.61
MAPT P10636 4/20 0.48
ALDH1A1 P00352 4/20 0.47
ATM Q13315 1/20 0.47
SOS1 Q07889 1/20 0.46
NPSR1 Q6W5P4 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CYP19A1 P11511 2/20 0.45
MAOB P27338 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
BACE1 P56817 1/20 0.43
LMNA P02545 2/20 0.43
GAA P10253 1/20 0.43
NFKB1 P19838 2/20 0.42
NFKB2 Q00653 2/20 0.42
RELA Q04206 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42

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
SCHEMBL4711329 1.00 RAB9A (0.61) RAB9AKMT2ANPC1MEN1MAPT
SCHEMBL27496277 0.86 RAB9A (0.55) RAB9AKMT2ANPC1MEN1MAPT
SCHEMBL27496276 0.83 RAB9A (0.54) RAB9AKMT2ANPC1MEN1MAPT
SCHEMBL7266628 0.80 RAB9A (0.54) RAB9AKMT2ANPC1MEN1MAPT
SCHEMBL4710787 0.80 MEN1 (0.54) RAB9AKMT2ANPC1MEN1MAPT
SCHEMBL4710786 0.80 MEN1 (0.54) RAB9AKMT2ANPC1MEN1MAPT
SCHEMBL14291652 0.79 KMT2A (0.66) RAB9AKMT2ANPC1MEN1MAPT
SCHEMBL4712063 0.78 RAB9A (0.48) RAB9AKMT2ANPC1MEN1MAPT
SCHEMBL4712062 0.78 RAB9A (0.48) RAB9AKMT2ANPC1MEN1MAPT
SCHEMBL10387039 0.78 KMT2A (0.68) RAB9AKMT2ANPC1MEN1MAPT

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 5 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
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