SCHEMBL4710682

SCHEMBL4710682

CCOC(=O)c1ccc(C=Cc2ccccc2Cl)nc1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.48
TDP1 Q9NUW8 1/20 0.48
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
HSP90AA1 P07900 3/20 0.44
NPC1 O15118 2/20 0.44
TSHR P16473 2/20 0.44
AGTR1 P30556 1/20 0.44
DHODH Q02127 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KDM4E B2RXH2 4/20 0.43
RAB9A P51151 2/20 0.43
LMNA P02545 2/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
MAPK1 P28482 1/20 0.42
MDM2 Q00987 1/20 0.42
GABRA5 P31644 1/20 0.41
PDE4B Q07343 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
SCHEMBL4710678 1.00 MAPT (0.48) MAPTTDP1MEN1KMT2AHSP90AA1
SCHEMBL4710683 0.83 NPC1 (0.49) MAPTMEN1KMT2AHSP90AA1NPC1
SCHEMBL4710680 0.83 NPC1 (0.49) MAPTMEN1KMT2AHSP90AA1NPC1
SCHEMBL4710531 0.81 TSHR (0.44) MAPTTDP1MEN1KMT2ANPC1
SCHEMBL4710729 0.81 TSHR (0.44) MAPTTDP1MEN1KMT2ANPC1
SCHEMBL4713253 0.74 MEN1 (0.50) MAPTMEN1KMT2AHSP90AA1NPC1
SCHEMBL4713250 0.74 MEN1 (0.50) MAPTMEN1KMT2AHSP90AA1NPC1
SCHEMBL10809819 0.73 TARBP2 (0.51) MAPTMEN1KMT2ANPC1L3MBTL1
SCHEMBL10809822 0.73 TARBP2 (0.51) MAPTMEN1KMT2ANPC1L3MBTL1
SCHEMBL609984 0.72 KDM4E (0.54) MAPTTDP1NPC1TSHRKDM4E

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