SCHEMBL7447286

SCHEMBL7447286

O=[C]Nc1nsc2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPAS1 Q99814 9/20 0.56
EPHX2 P34913 1/20 0.46
MAPT P10636 4/20 0.46
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 1/20 0.46
HSD17B10 Q99714 1/20 0.46
ACHE P22303 1/20 0.38
TP53 P04637 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
POLB P06746 1/20 0.33

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
SCHEMBL10855771 0.81 EPAS1 (0.56) EPAS1EPHX2MAPTKDM4EALDH1A1
SCHEMBL10504446 0.75 EPAS1 (0.61) EPAS1EPHX2MAPTKDM4EALDH1A1
SCHEMBL11443229 0.75 EPAS1 (0.61) EPAS1EPHX2MAPTKDM4EALDH1A1
SCHEMBL13202776 0.73 EPAS1 (0.59) EPAS1EPHX2MAPTKDM4EALDH1A1
SCHEMBL7975860 0.73 EPAS1 (0.54) EPAS1EPHX2MAPTKDM4EALDH1A1
SCHEMBL29791659 0.72 EPAS1 (1.00) EPAS1EPHX2MAPTKDM4EALDH1A1
SCHEMBL9361501 0.72 EPAS1 (1.00) EPAS1EPHX2MAPTKDM4EALDH1A1
SCHEMBL18726163 0.71 EPAS1 (0.53) EPAS1EPHX2MAPTKDM4EALDH1A1
SCHEMBL14484081 0.71 EPAS1 (0.53) EPAS1EPHX2MAPTKDM4EALDH1A1
SCHEMBL223777 0.71 MAPT (0.50) EPAS1EPHX2MAPTKDM4EALDH1A1

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-0977743-A1 PROTEASE INHIBITORS Smithkline Beecham (US) 2000-02-09 EP disclosed
WO-1998049152-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1998-11-05 WO disclosed