SCHEMBL12669231

SCHEMBL12669231

O=c1c(O)c(CNCCS)ccn1Cc1ccccc1

nearest known ligand 0.72

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 18/20 0.72
VEGFA P15692 10/20 0.72
KDM4E B2RXH2 1/20 0.44
TP53 P04637 1/20 0.44
CYP2D6 P10635 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL272670 0.87 EGLN1 (0.88) EGLN1VEGFAKDM4ETP53CYP2D6
SCHEMBL272502 0.84 EGLN1 (0.71) EGLN1VEGFAKDM4ETP53CYP2D6
SCHEMBL273704 0.84 EGLN1 (1.00) EGLN1VEGFAKDM4ETP53CYP2D6
SCHEMBL271709 0.81 EGLN1 (0.64) EGLN1VEGFAKDM4ETP53CYP2D6
SCHEMBL1774277 0.81 EGLN1 (1.00) EGLN1VEGFAKDM4EHTT
SCHEMBL271531 0.80 EGLN1 (0.63) EGLN1VEGFA
SCHEMBL12649393 0.80 EGLN1 (0.88) EGLN1VEGFACYP2D6SMN1; SMN2
SCHEMBL12599456 0.80 EGLN1 (0.80) EGLN1VEGFAKDM4ETP53CYP2D6
SCHEMBL272385 0.80 EGLN1 (0.76) EGLN1VEGFAKDM4EHTTSMN1; SMN2
SCHEMBL24512412 0.79 EGLN1 (0.78) EGLN1VEGFAKDM4ETP53CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011057115-A1 PROLYL HYDROXYLASE INHIBITORS AKEBIA THERAPEUTICS INC. (US) 2011-05-12 WO disclosed