SCHEMBL4710359

SCHEMBL4710359

COc1cccc(C=Cc2cccc(C)n2)c1OC(C)=O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 12/20 0.69
KMT2A Q03164 12/20 0.69
NPC1 O15118 10/20 0.69
RAB9A P51151 8/20 0.69
MAPT P10636 7/20 0.69
ALDH1A1 P00352 5/20 0.69
MAPK1 P28482 3/20 0.69
POLB P06746 2/20 0.69
KDM4E B2RXH2 2/20 0.69
SMN1; SMN2 Q16637 5/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
AGTR1 P30556 3/20 0.52
HPGD P15428 3/20 0.50
HTT P42858 1/20 0.50
LMNA P02545 3/20 0.49
NPSR1 Q6W5P4 1/20 0.49
NFE2L2 Q16236 4/20 0.47
GAA P10253 2/20 0.45
ECE2 P0DPD6 1/20 0.44
CYP1A1 P04798 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
SCHEMBL4710358 1.00 MEN1 (0.69) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL4713133 0.85 NPC1 (0.64) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL4713137 0.85 NPC1 (0.64) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL4713645 0.85 MEN1 (0.56) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL4713647 0.85 MEN1 (0.56) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL4715307 0.84 MEN1 (0.52) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL4715311 0.84 MEN1 (0.52) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL4711234 0.80 KMT2A (0.54) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL4711230 0.80 KMT2A (0.54) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL4715575 0.80 NPC1 (0.62) MEN1KMT2ANPC1RAB9AMAPT

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