SCHEMBL4713645

SCHEMBL4713645

COc1cc(Br)cc(/C=C/c2cccc(C)n2)c1OC(C)=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 17/20 0.56
KMT2A Q03164 17/20 0.56
MAPT P10636 8/20 0.53
RAB9A P51151 8/20 0.53
NPC1 O15118 8/20 0.53
ALDH1A1 P00352 7/20 0.53
SMN1; SMN2 Q16637 5/20 0.53
HPGD P15428 2/20 0.53
HTT P42858 2/20 0.53
POLB P06746 2/20 0.52
MAPK1 P28482 2/20 0.52
KDM4E B2RXH2 1/20 0.52
LMNA P02545 3/20 0.48
NPSR1 Q6W5P4 2/20 0.48
AGTR1 P30556 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.42
TDP1 Q9NUW8 2/20 0.41
GAA P10253 2/20 0.40
TUBB4A P04350 1/20 0.39
TUBB P07437 1/20 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
SCHEMBL4713647 1.00 MEN1 (0.56) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL4710358 0.85 MEN1 (0.69) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL4710359 0.85 MEN1 (0.69) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL4713486 0.81 MEN1 (0.51) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL4713488 0.81 MEN1 (0.51) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL4710116 0.81 MEN1 (0.71) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL4710115 0.81 MEN1 (0.71) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL4711294 0.77 MEN1 (0.50) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL4711295 0.77 MEN1 (0.50) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL4715311 0.74 MEN1 (0.52) MEN1KMT2AMAPTRAB9ANPC1

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