SCHEMBL1670669

SCHEMBL1670669

Cc1noc(C)c1-n1c(C(=N)NO)cnc1-c1ccc(O)cc1

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.32
EDNRA P25101 1/20 0.32
TAS2R8 Q9NYW2 1/20 0.31
MMP1 P03956 1/20 0.30
MMP2 P08253 1/20 0.30
MMP9 P14780 1/20 0.30
MMP13 P45452 1/20 0.30
MMP14 P50281 1/20 0.30
ADAM17 P78536 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
SCHEMBL1670665 0.80 BRD4 (0.32) BRD4
SCHEMBL1670663 0.80 BRD4 (0.32) BRD4
SCHEMBL1672942 0.78 BRD4 (0.35) BRD4TAS2R8
SCHEMBL1670328 0.77 BRD4 (0.33) BRD4EDNRA
SCHEMBL1670700 0.76 ERN1 (0.40) BRD4EDNRATAS2R8
SCHEMBL12986085 0.74 BRD4 (0.34) BRD4MMP1MMP2MMP9MMP13
SCHEMBL12986674 0.74 BRD4 (0.32) BRD4MMP1MMP2MMP9MMP13
SCHEMBL1670574 0.74 BRD4 (0.32) BRD4TAS2R8
SCHEMBL1670571 0.74 BRD4 (0.32) BRD4TAS2R8
SCHEMBL1671035 0.73 BRD4 (0.33) BRD4EDNRA

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