SCHEMBL1672940

SCHEMBL1672940

CCc1cc(C(N)=NO)n(-c2c(C)noc2C)c1-c1ccc(O)cc1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.35
ESR1 P03372 2/20 0.32
ESR2 Q92731 2/20 0.32
ESRRB O95718 1/20 0.31
ESRRA P11474 1/20 0.31
TTR P02766 1/20 0.30
BRD2 P25440 1/20 0.30
BRD3 Q15059 1/20 0.30
ERN1 O75460 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
SCHEMBL1672939 1.00 BRD4 (0.35) BRD4ESR1ESR2ESRRBESRRA
SCHEMBL1672942 0.81 BRD4 (0.35) BRD4ESR1ESR2ESRRBESRRA
SCHEMBL1670665 0.77 BRD4 (0.32) BRD4
SCHEMBL1670663 0.77 BRD4 (0.32) BRD4
SCHEMBL1670941 0.77 BRD4 (0.32) BRD4
SCHEMBL1670939 0.77 BRD4 (0.32) BRD4
SCHEMBL1670323 0.74 BRD4 (0.30) BRD4
SCHEMBL1670957 0.74 NTRK1 (0.33)
SCHEMBL1670324 0.74 BRD4 (0.30) BRD4
SCHEMBL1670956 0.74 NTRK1 (0.33)

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