SCHEMBL1670529

SCHEMBL1670529

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

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 15/20 0.38
MLYCD O95822 1/20 0.36
ERN1 O75460 2/20 0.35
BRD2 P25440 1/20 0.35
HDAC6 Q9UBN7 1/20 0.33
CREBBP Q92793 3/20 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
SCHEMBL1672988 0.86 ERN1 (0.40) BRD4MLYCDERN1BRD2HDAC6
SCHEMBL1670736 0.86 BRD4 (0.40) BRD4MLYCDERN1BRD2HDAC6
SCHEMBL1671529 0.82 BRD4 (0.36) BRD4MLYCDERN1BRD2HDAC6
SCHEMBL1672905 0.81 BRD4 (0.37) BRD4MLYCDERN1BRD2HDAC6
SCHEMBL1670528 0.81 BRD4 (0.36) BRD4MLYCDERN1BRD2CREBBP
SCHEMBL1670526 0.81 BRD4 (0.36) BRD4MLYCDERN1BRD2CREBBP
SCHEMBL1672810 0.79 BRD4 (0.40) BRD4MLYCDERN1BRD2HDAC6
SCHEMBL1671315 0.79 BRD4 (0.42) BRD4MLYCDBRD2CREBBP
SCHEMBL1672899 0.79 ERN1 (0.38) BRD4MLYCDERN1HDAC6CREBBP
SCHEMBL1670338 0.79

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