SCHEMBL4713708

SCHEMBL4713708

Cc1nc(C=Cc2cc(Cl)cc(Cl)c2)ccc1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 6/20 0.48
AHR P35869 2/20 0.43
ALOX5 P09917 1/20 0.40
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
MAPT P10636 3/20 0.40
LMNA P02545 1/20 0.40
HSP90AA1 P07900 1/20 0.40
GAA P10253 1/20 0.40
MAPK1 P28482 1/20 0.40
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
POLB P06746 2/20 0.38
HTT P42858 1/20 0.38
MCL1 Q07820 1/20 0.38
AGTR1 P30556 1/20 0.37
OPRK1 P41145 1/20 0.37
ABL1 P00519 1/20 0.37

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
SCHEMBL4713707 1.00 APP (0.48) APPAHRALOX5PTGS1PTGS2
SCHEMBL4710405 0.86 APP (0.47) APPMEN1KMT2AMAPTLMNA
SCHEMBL4710403 0.86 APP (0.47) APPMEN1KMT2AMAPTLMNA
SCHEMBL4710220 0.85 ALOX5 (0.49) APPAHRALOX5PTGS1PTGS2
SCHEMBL4710219 0.85 ALOX5 (0.49) APPAHRALOX5PTGS1PTGS2
SCHEMBL4712888 0.78 APP (0.49) APPAHRMEN1KMT2ANPC1
SCHEMBL4712891 0.78 APP (0.49) APPAHRMEN1KMT2ANPC1
SCHEMBL4712582 0.76 KMT2A (0.50) APPAHRMEN1KMT2AMAPT
SCHEMBL4712583 0.76 KMT2A (0.50) APPAHRMEN1KMT2AMAPT
SCHEMBL4711487 0.74 AHR (0.43) APPAHRALOX5PTGS1PTGS2

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