SCHEMBL1670734

SCHEMBL1670734

Cc1noc(C)c1-c1c(-c2ccc(O)cc2)c(Br)n(C)c1C(N)=NO

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 1/20 0.38
BRD4 O60885 18/20 0.37
BRD2 P25440 2/20 0.36
CREBBP Q92793 4/20 0.34
ERN1 O75460 1/20 0.34

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
SCHEMBL1670732 1.00 MLYCD (0.38) MLYCDBRD4BRD2CREBBPERN1
SCHEMBL12800379 0.86 MLYCD (0.39) MLYCDBRD4BRD2CREBBPERN1
SCHEMBL1670526 0.85 BRD4 (0.36) MLYCDBRD4BRD2CREBBPERN1
SCHEMBL1670528 0.85 BRD4 (0.36) MLYCDBRD4BRD2CREBBPERN1
SCHEMBL1672902 0.83 BRD4 (0.35) MLYCDBRD4BRD2CREBBPERN1
SCHEMBL1672903 0.83 BRD4 (0.35) MLYCDBRD4BRD2CREBBPERN1
SCHEMBL12800382 0.81 MLYCD (0.42) MLYCDBRD4BRD2CREBBPERN1
SCHEMBL1672807 0.81 BRD4 (0.38) MLYCDBRD4BRD2CREBBPERN1
SCHEMBL1672805 0.81 BRD4 (0.38) MLYCDBRD4BRD2CREBBPERN1
SCHEMBL1670736 0.81 BRD4 (0.40) MLYCDBRD4BRD2CREBBPERN1

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