SCHEMBL4712062

SCHEMBL4712062

Cc1ccc(O)c(/C=C/c2ccccc2[N+](=O)[O-])n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.48
NPC1 O15118 5/20 0.48
KMT2A Q03164 4/20 0.48
MEN1 O00255 3/20 0.48
CTSB P07858 1/20 0.48
CTSH P09668 1/20 0.48
MAPT P10636 2/20 0.48
ALDH1A1 P00352 6/20 0.47
ATM Q13315 1/20 0.47
NPSR1 Q6W5P4 1/20 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
LMNA P02545 2/20 0.44
BACE1 P56817 1/20 0.43
SOS1 Q07889 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
POLB P06746 1/20 0.42
NFKB1 P19838 1/20 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
SCHEMBL4712063 1.00 RAB9A (0.48) RAB9ANPC1KMT2AMEN1CTSB
SCHEMBL27496603 0.86 ALDH1A1 (0.44) RAB9ANPC1KMT2AMEN1CTSB
SCHEMBL27496602 0.83 BACE1 (0.46) RAB9ANPC1KMT2AMEN1MAPT
SCHEMBL7268783 0.80 MAPT (0.48) RAB9ANPC1KMT2AMEN1MAPT
SCHEMBL4714730 0.80 CYP19A1 (0.46) RAB9ANPC1KMT2AMEN1MAPT
SCHEMBL4714726 0.80 CYP19A1 (0.46) RAB9ANPC1KMT2AMEN1MAPT
SCHEMBL9664461 0.79 RAB9A (0.60) RAB9ANPC1KMT2AMEN1MAPT
SCHEMBL9000630 0.79 RAB9A (0.60) RAB9ANPC1KMT2AMEN1MAPT
SCHEMBL4714523 0.79 MEN1 (0.47) RAB9ANPC1KMT2AMEN1MAPT
SCHEMBL4714522 0.79 MEN1 (0.47) RAB9ANPC1KMT2AMEN1MAPT

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