SCHEMBL1672792

SCHEMBL1672792

Cc1noc(C)c1-c1c(-c2ccc(O)c(F)c2)cn(C)c1C(=N)NO

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 2/20 0.38
BRD4 O60885 9/20 0.35
BRD2 P25440 2/20 0.35
BRD3 Q15059 1/20 0.35
MLYCD O95822 1/20 0.34
HDAC4 P56524 5/20 0.34
HDAC6 Q9UBN7 5/20 0.34
HDAC3 O15379 4/20 0.34
HDAC1 Q13547 4/20 0.34
HDAC7 Q8WUI4 4/20 0.34
HDAC2 Q92769 4/20 0.34
HDAC10 Q969S8 4/20 0.34
HDAC11 Q96DB2 4/20 0.34
HDAC8 Q9BY41 4/20 0.34
HDAC9 Q9UKV0 4/20 0.34
HDAC5 Q9UQL6 4/20 0.34
NCOR2 Q9Y618 1/20 0.34
BCL2L1 Q07817 1/20 0.34
BAK1 Q16611 1/20 0.34
NSD3 Q9BZ95 1/20 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
SCHEMBL1672810 0.85 BRD4 (0.40) ERN1BRD4BRD2MLYCDHDAC4
SCHEMBL1670490 0.83 BRD4 (0.35) ERN1BRD4BCL2L1BAK1NSD3
SCHEMBL1672865 0.82 BRD4 (0.37) BRD4BRD2MLYCDHDAC6
SCHEMBL1682414 0.82 ERN1 (0.38) ERN1BRD4BRD2BRD3MLYCD
SCHEMBL1672789 0.82 ERN1 (0.38) ERN1BRD4BRD2BRD3MLYCD
SCHEMBL1672787 0.82 ERN1 (0.38) ERN1BRD4BRD2BRD3MLYCD
SCHEMBL1672988 0.80 ERN1 (0.40) ERN1BRD4BRD2BRD3MLYCD
SCHEMBL21141696 0.75 ERN1 (0.35) ERN1BRD4BRD2BRD3HDAC4
SCHEMBL1672899 0.74 ERN1 (0.38) ERN1BRD4MLYCDHDAC4HDAC6
SCHEMBL1671024 0.73 TTR (0.34) ERN1

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