SCHEMBL4710116

SCHEMBL4710116

COc1cc(Br)cc(C=Cc2cccc(C)n2)c1O

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 10/20 0.71
KMT2A Q03164 10/20 0.71
ERN1 O75460 4/20 0.50
ECE2 P0DPD6 1/20 0.48
NPC1 O15118 5/20 0.47
RAB9A P51151 4/20 0.47
MAPT P10636 2/20 0.47
KDM4E B2RXH2 2/20 0.47
GAA P10253 1/20 0.47
MAPK1 P28482 1/20 0.47
APP P05067 2/20 0.45
ALDH1A1 P00352 2/20 0.42
GRM5 P41594 1/20 0.42
GRM4 Q14833 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42

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
SCHEMBL4710115 1.00 MEN1 (0.71) MEN1KMT2AERN1ECE2NPC1
SCHEMBL27514516 0.89 KMT2A (0.61) MEN1KMT2AERN1ECE2NPC1
SCHEMBL4713357 0.82 NPC1 (0.68) MEN1KMT2AERN1ECE2NPC1
SCHEMBL4713361 0.82 NPC1 (0.68) MEN1KMT2AERN1ECE2NPC1
SCHEMBL4713645 0.81 MEN1 (0.56) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL4713647 0.81 MEN1 (0.56) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL6591201 0.81 MEN1 (0.56) MEN1KMT2AERN1NPC1RAB9A
SCHEMBL6591204 0.81 MEN1 (0.56) MEN1KMT2AERN1NPC1RAB9A
SCHEMBL6594455 0.80 MEN1 (0.60) MEN1KMT2AERN1NPC1RAB9A
SCHEMBL6594459 0.80 MEN1 (0.60) MEN1KMT2AERN1NPC1RAB9A

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