SCHEMBL4714523

SCHEMBL4714523

Cc1ccc(O)c(C=Cc2ccccc2Cl)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
NPC1 O15118 3/20 0.47
HSP90AA1 P07900 2/20 0.47
AGTR1 P30556 1/20 0.47
MAPT P10636 6/20 0.44
RAB9A P51151 4/20 0.44
TP53 P04637 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
CASP3 P42574 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44
CYP1A2 P05177 2/20 0.43
CYP1A1 P04798 1/20 0.43
CYP1B1 Q16678 1/20 0.43
ABCG2 Q9UNQ0 2/20 0.42
FGFR1 P11362 1/20 0.41
FGFR3 P22607 1/20 0.41
CHAT P28329 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
SCHEMBL4714522 1.00 MEN1 (0.47) MEN1KMT2ANPC1HSP90AA1AGTR1
SCHEMBL7262198 0.81 FGFR1 (0.44) MEN1KMT2ANPC1HSP90AA1AGTR1
SCHEMBL7262186 0.81 CYP1A2 (0.43) MEN1KMT2ANPC1HSP90AA1AGTR1
SCHEMBL4711228 0.81 FGFR1 (0.41) MEN1KMT2ANPC1HSP90AA1AGTR1
SCHEMBL4711231 0.81 FGFR1 (0.41) MEN1KMT2ANPC1HSP90AA1AGTR1
SCHEMBL4713060 0.80 RAB9A (0.46) MEN1KMT2ANPC1HSP90AA1MAPT
SCHEMBL4713064 0.80 RAB9A (0.46) MEN1KMT2ANPC1HSP90AA1MAPT
SCHEMBL4712062 0.79 RAB9A (0.48) MEN1KMT2ANPC1MAPTRAB9A
SCHEMBL4712063 0.79 RAB9A (0.48) MEN1KMT2ANPC1MAPTRAB9A
SCHEMBL4710348 0.77 GRM4 (0.51) MEN1KMT2ANPC1MAPTRAB9A

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