SCHEMBL1082129

SCHEMBL1082129

O=C(O)c1cccc2[nH]c(OCc3ccccc3)nc12

nearest known ligand 0.67

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 17/20 0.67
PARP1 P09874 1/20 0.51
KDM4E B2RXH2 1/20 0.50
HPGD P15428 1/20 0.50
SRD5A2 P31213 1/20 0.46

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
SCHEMBL1297983 0.85 KDM4E (0.54) DHODHPARP1KDM4EHPGD
SCHEMBL5619518 0.80 DHODH (0.79) DHODHPARP1
SCHEMBL505556 0.80 DHODH (1.00) DHODHPARP1
SCHEMBL10212043 0.79 DHODH (0.98) DHODHPARP1
SCHEMBL6950091 0.78 DHODH (0.69) DHODHPARP1KDM4EHPGDSRD5A2
SCHEMBL10688649 0.77 DHODH (0.67) DHODHPARP1KDM4EHPGDSRD5A2
SCHEMBL10212006 0.77 DHODH (0.77) DHODHPARP1
SCHEMBL10211938 0.76 DHODH (1.00) DHODHPARP1
SCHEMBL4243578 0.75 DHODH (0.53) DHODHPARP1KDM4EHPGD
SCHEMBL6948954 0.75 NPC1 (0.55) DHODHPARP1KDM4EHPGD

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-2273879-A1 PROLYL HYDROXYLASE INHIBITORS GlaxoSmithKline LLC (US) 2011-01-19 EP disclosed
WO-2009134850-A1 PROLYL HYDROXYLASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2009-11-05 WO disclosed