SCHEMBL1671529

SCHEMBL1671529

Cc1noc(C)c1-c1c(-c2ccc(O)cc2)c(-c2ccn(C)n2)n(C)c1C(=N)NO

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 10/20 0.36
BRD2 P25440 1/20 0.32
MLYCD O95822 1/20 0.32
HDAC6 Q9UBN7 1/20 0.31
ERN1 O75460 1/20 0.31
CREBBP Q92793 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
SCHEMBL1670736 0.82 BRD4 (0.40) BRD4BRD2MLYCDHDAC6ERN1
SCHEMBL1670529 0.82 BRD4 (0.38) BRD4BRD2MLYCDHDAC6ERN1
SCHEMBL1672899 0.82 ERN1 (0.38) BRD4MLYCDHDAC6ERN1CREBBP
SCHEMBL1671315 0.82 BRD4 (0.42) BRD4BRD2MLYCDCREBBP
SCHEMBL1682518 0.78 BRD4 (0.40) BRD4BRD2MLYCDHDAC6ERN1
SCHEMBL1672905 0.78 BRD4 (0.37) BRD4BRD2MLYCDHDAC6ERN1
SCHEMBL1672810 0.76 BRD4 (0.40) BRD4BRD2MLYCDHDAC6ERN1
SCHEMBL1670763 0.74 BRD4 (0.38) BRD4BRD2MLYCDERN1CREBBP
SCHEMBL1670720 0.71 TLR8 (0.39) BRD4HDAC6
SCHEMBL12800379 0.70 MLYCD (0.39) BRD4BRD2MLYCDERN1CREBBP

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