SCHEMBL4711544

SCHEMBL4711544

Oc1cccnc1/C=C/c1ccccc1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.49
TP53 P04637 2/20 0.49
CASP3 P42574 1/20 0.49
SENP8 Q96LD8 1/20 0.49
SENP7 Q9BQF6 1/20 0.49
SENP6 Q9GZR1 1/20 0.49
NPC1 O15118 5/20 0.49
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
HSP90AA1 P07900 1/20 0.49
AGTR1 P30556 1/20 0.49
ALDH1A1 P00352 4/20 0.47
HPGD P15428 2/20 0.47
KDM4E B2RXH2 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
ALOX15 P16050 1/20 0.47
CYP2C19 P33261 1/20 0.47
HSD17B10 Q99714 1/20 0.47
MAPK1 P28482 1/20 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
SCHEMBL4711270 1.00 MAPT (0.49) MAPTTP53CASP3SENP8SENP7
SCHEMBL27482209 0.88 MAPT (0.54) MAPTTP53CASP3SENP8SENP7
SCHEMBL27482208 0.79 USP7 (0.46) MAPTTP53CASP3SENP8SENP7
SCHEMBL5671296 0.76 MAPT (0.44) MAPTNPC1KMT2AMEN1ALDH1A1
SCHEMBL5671302 0.76 MAPT (0.44) MAPTNPC1KMT2AMEN1ALDH1A1
SCHEMBL9000547 0.76 MMP2 (0.47) MAPTTP53NPC1KMT2AMEN1
SCHEMBL4711008 0.75 KDM4E (0.53) MAPTCASP3SENP8SENP7SENP6
SCHEMBL4711006 0.75 KDM4E (0.53) MAPTCASP3SENP8SENP7SENP6
SCHEMBL4714523 0.74 MEN1 (0.47) MAPTTP53CASP3SENP8SENP7
SCHEMBL4714522 0.74 MEN1 (0.47) MAPTTP53CASP3SENP8SENP7

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