SCHEMBL4710403

SCHEMBL4710403

Cc1nc(/C=C/c2cccc(Cl)c2)ccc1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 6/20 0.47
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
HSP90AA1 P07900 3/20 0.46
LMNA P02545 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
MAPK1 P28482 1/20 0.46
NPC1 O15118 3/20 0.46
CHAT P28329 1/20 0.45
RELA Q04206 1/20 0.44
ECE2 P0DPD6 1/20 0.44
AGTR1 P30556 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYSLTR2 Q9NS75 2/20 0.43
CYSLTR1 Q9Y271 2/20 0.43
POLB P06746 1/20 0.43
OPRK1 P41145 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL4710405 1.00 APP (0.47) APPMEN1KMT2AHSP90AA1LMNA
SCHEMBL4713707 0.86 APP (0.48) APPMEN1KMT2AHSP90AA1LMNA
SCHEMBL4713708 0.86 APP (0.48) APPMEN1KMT2AHSP90AA1LMNA
SCHEMBL27497602 0.84 MEN1 (0.43) APPMEN1KMT2AHSP90AA1LMNA
SCHEMBL4710220 0.81 ALOX5 (0.49) APPMEN1KMT2AHSP90AA1LMNA
SCHEMBL4710219 0.81 ALOX5 (0.49) APPMEN1KMT2AHSP90AA1LMNA
SCHEMBL27497601 0.81 KCNA3 (0.43) APPMEN1KMT2AHSP90AA1LMNA
SCHEMBL4711448 0.78 ALDH1A1 (0.67) MEN1KMT2ANPC1CHATRELA
SCHEMBL4711449 0.78 ALDH1A1 (0.67) MEN1KMT2ANPC1CHATRELA
SCHEMBL4712632 0.78 MEN1 (0.53) MEN1KMT2ALMNAMAPTMAPK1

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 4 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