SCHEMBL1672865

SCHEMBL1672865

Cc1noc(C)c1-c1c(-c2ccc(N)cc2)cn(C)c1C(=N)NO

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 11/20 0.37
BRD2 P25440 1/20 0.36
MLYCD O95822 1/20 0.35
ATAD2 Q6PL18 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
JAK2 O60674 1/20 0.33
USP30 Q70CQ3 2/20 0.33
CREBBP Q92793 1/20 0.33
TDO2 P48775 1/20 0.32

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
SCHEMBL1672810 0.90 BRD4 (0.40) BRD4BRD2MLYCDHDAC6CREBBP
SCHEMBL1672792 0.82 ERN1 (0.38) BRD4BRD2MLYCDHDAC6
SCHEMBL1672861 0.81 BRD4 (0.38) BRD4BRD2MLYCDATAD2JAK2
SCHEMBL1672863 0.81 BRD4 (0.38) BRD4BRD2MLYCDATAD2JAK2
SCHEMBL12800384 0.78 BRD4 (0.39) BRD4BRD2MLYCDCREBBP
SCHEMBL1670490 0.77 BRD4 (0.35) BRD4CREBBP
SCHEMBL1670720 0.75 TLR8 (0.39) BRD4HDAC6
SCHEMBL12800390 0.72 BRD4 (0.43) BRD4BRD2MLYCDJAK2CREBBP
SCHEMBL1670736 0.72 BRD4 (0.40) BRD4BRD2MLYCDHDAC6USP30
SCHEMBL1672805 0.72 BRD4 (0.38) BRD4BRD2MLYCDCREBBP

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 2 patents. 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
WO-2011042477-A1 SUBSTITUTED PYRROLES AND IMIDAZOLES AS ESTROGEN RECEPTOR LIGANDS KARO BIO AB (SE) 2011-04-14 WO disclosed