SCHEMBL8800860

SCHEMBL8800860

CCOC(=O)c1ccc(-c2cc(C)c(=O)[nH]n2)cc1.COc1ccc(OC)c(-c2cc(C)c(=O)[nH]n2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.54
NPC1 O15118 4/20 0.54
RAB9A P51151 4/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
KDM4E B2RXH2 4/20 0.46
TP53 P04637 2/20 0.44
GAA P10253 2/20 0.44
ALOX15 P16050 2/20 0.44
USP2 O75604 2/20 0.44
TSHR P16473 1/20 0.44
LMNA P02545 4/20 0.44
ALDH1A1 P00352 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
ALPL P05186 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
MEN1 O00255 1/20 0.42
HPGD P15428 1/20 0.42
KMT2A Q03164 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
PDGFRB P09619 1/20 0.41

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
SCHEMBL8481778 0.85 KDM4E (0.60) MAPTNPC1RAB9AL3MBTL1KDM4E
SCHEMBL8474899 0.83 HTT (0.54) MAPTNPC1RAB9AKDM4EGAA
SCHEMBL1376033 0.75 GSK3A (0.63) MAPTNPC1RAB9AL3MBTL1KDM4E
SCHEMBL7724710 0.75 MAPT (0.71) MAPTNPC1RAB9AL3MBTL1KDM4E
SCHEMBL2949324 0.74 TARBP2 (0.48) MAPTNPC1RAB9AL3MBTL1KDM4E
SCHEMBL5267093 0.72 ALPL (0.59) MAPTNPC1RAB9AL3MBTL1KDM4E
SCHEMBL2888912 0.71 MAPT (1.00) MAPTNPC1RAB9AL3MBTL1LMNA
SCHEMBL8476548 0.71 PDE4A (0.64) MAPTNPC1RAB9AKDM4ETP53
SCHEMBL16563432 0.70 THRB (0.59) MAPTNPC1RAB9AL3MBTL1KDM4E
SCHEMBL10061103 0.69 HDAC3 (0.55) MAPTNPC1RAB9AL3MBTL1KDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0796250-A1 PYRIDAZINONES AS ENDOTHELIN-RECEPTOR ANTAGONISTS MERCK PATENT GmbH (DE) 1997-09-24 EP disclosed
WO-1997013758-A1 PYRIDAZINONES AS ENDOTHELIN-RECEPTOR ANTAGONISTS MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1997-04-17 WO disclosed