SCHEMBL1670528

SCHEMBL1670528

C=Cc1c(-c2ccc(O)cc2)c(-c2c(C)noc2C)c(C(N)=NO)n1C

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 17/20 0.36
MLYCD O95822 1/20 0.36
ERN1 O75460 2/20 0.35
BRD2 P25440 1/20 0.35
CREBBP Q92793 4/20 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
SCHEMBL1670526 1.00 BRD4 (0.36) BRD4MLYCDERN1BRD2CREBBP
SCHEMBL1672986 0.86 ERN1 (0.40) BRD4MLYCDERN1BRD2CREBBP
SCHEMBL1672985 0.86 ERN1 (0.40) BRD4MLYCDERN1BRD2CREBBP
SCHEMBL1670734 0.85 MLYCD (0.38) BRD4MLYCDERN1BRD2CREBBP
SCHEMBL1670732 0.85 MLYCD (0.38) BRD4MLYCDERN1BRD2CREBBP
SCHEMBL1672902 0.81 BRD4 (0.35) BRD4MLYCDERN1BRD2CREBBP
SCHEMBL1672903 0.81 BRD4 (0.35) BRD4MLYCDERN1BRD2CREBBP
SCHEMBL1670529 0.81 BRD4 (0.38) BRD4MLYCDERN1BRD2CREBBP
SCHEMBL1672805 0.79 BRD4 (0.38) BRD4MLYCDERN1BRD2CREBBP
SCHEMBL1672807 0.79 BRD4 (0.38) BRD4MLYCDERN1BRD2CREBBP

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 claimed