SCHEMBL1670700

SCHEMBL1670700

Cc1noc(C)c1-n1c(C=O)cnc1-c1ccc(O)cc1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 5/20 0.40
BRD4 O60885 6/20 0.39
TAS2R8 Q9NYW2 5/20 0.34
TTR P02766 1/20 0.32
ALDH1A1 P00352 1/20 0.31
SCN9A Q15858 1/20 0.30
EDNRA P25101 1/20 0.30
BRD2 P25440 1/20 0.30
CREBBP Q92793 1/20 0.30

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
SCHEMBL1670571 0.85 BRD4 (0.32) ERN1BRD4TAS2R8
SCHEMBL1670574 0.85 BRD4 (0.32) ERN1BRD4TAS2R8
SCHEMBL1670909 0.85 PTGS2 (0.40) BRD4TAS2R8ALDH1A1BRD2
SCHEMBL1670669 0.76 BRD4 (0.32) BRD4TAS2R8EDNRA
SCHEMBL1670663 0.75 BRD4 (0.32) BRD4
SCHEMBL1670665 0.75 BRD4 (0.32) BRD4
SCHEMBL1671281 0.69 BRD4 (0.33) ERN1BRD4ALDH1A1
SCHEMBL1671278 0.69 BRD4 (0.33) ERN1BRD4ALDH1A1
SCHEMBL1670945 0.65 BRD4 (0.34) ERN1BRD4TTR
SCHEMBL1670948 0.65 BRD4 (0.34) ERN1BRD4TTR

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
WO-2011042477-A1 SUBSTITUTED PYRROLES AND IMIDAZOLES AS ESTROGEN RECEPTOR LIGANDS KARO BIO AB (SE) 2011-04-14 WO disclosed
WO-2011042477-A1 SUBSTITUTED PYRROLES AND IMIDAZOLES AS ESTROGEN RECEPTOR LIGANDS KARO BIO AB (SE) 2011-04-14 WO disclosed