SCHEMBL1672895

SCHEMBL1672895

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

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 2/20 0.41
BRD4 O60885 15/20 0.39
ERN1 O75460 2/20 0.37
BRD2 P25440 1/20 0.37
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
SCHEMBL1672893 1.00 MLYCD (0.41) MLYCDBRD4ERN1BRD2CREBBP
SCHEMBL1670136 0.80 MLYCD (0.36) MLYCDBRD4ERN1BRD2CREBBP
SCHEMBL12800382 0.80 MLYCD (0.42) MLYCDBRD4ERN1BRD2CREBBP
SCHEMBL1670734 0.79 MLYCD (0.38) MLYCDBRD4ERN1BRD2CREBBP
SCHEMBL1670732 0.79 MLYCD (0.38) MLYCDBRD4ERN1BRD2CREBBP
SCHEMBL20913308 0.78 BRD4 (0.38) MLYCDBRD4ERN1BRD2CREBBP
SCHEMBL1682611 0.78 BRD4 (0.38) MLYCDBRD4ERN1BRD2CREBBP
SCHEMBL1682609 0.78 BRD4 (0.38) MLYCDBRD4ERN1BRD2CREBBP
SCHEMBL1670736 0.77 BRD4 (0.40) MLYCDBRD4ERN1BRD2CREBBP
SCHEMBL1670817 0.77 MLYCD (0.40) MLYCDBRD4ERN1BRD2CREBBP

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