SCHEMBL4710561

SCHEMBL4710561

Cc1ccc(O)c(C=Cc2ccc(Cl)cc2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.49
PTGS1 P23219 1/20 0.49
PTGS2 P35354 1/20 0.49
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
MAPK1 P28482 2/20 0.43
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
AHR P35869 1/20 0.40
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
MAOB P27338 3/20 0.39
MAOA P21397 2/20 0.39
APP P05067 1/20 0.39
KDM4E B2RXH2 4/20 0.39
MAPT P10636 2/20 0.39
CYP1A2 P05177 2/20 0.39
ALDH1A1 P00352 2/20 0.39

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
SCHEMBL4710560 1.00 ALOX5 (0.49) ALOX5PTGS1PTGS2NPC1RAB9A
SCHEMBL4711487 0.85 AHR (0.43) ALOX5PTGS1PTGS2AHRAPP
SCHEMBL4711489 0.85 AHR (0.43) ALOX5PTGS1PTGS2AHRAPP
SCHEMBL4712775 0.83 GRM4 (0.51) ALOX5PTGS1PTGS2NPC1RAB9A
SCHEMBL4710346 0.83 GRM4 (0.51) ALOX5PTGS1PTGS2NPC1RAB9A
SCHEMBL4710348 0.83 GRM4 (0.51) ALOX5PTGS1PTGS2NPC1RAB9A
SCHEMBL4711845 0.81 CHAT (0.45) SMN1; SMN2AHRMAOBMAOAAPP
SCHEMBL4711844 0.81 CHAT (0.45) SMN1; SMN2AHRMAOBMAOAAPP
SCHEMBL27481067 0.81 CASP3 (0.51) ALOX5PTGS1PTGS2NPC1RAB9A
SCHEMBL27481066 0.79 ALOX5 (0.42) ALOX5PTGS1PTGS2NPC1RAB9A

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