SCHEMBL1672942

SCHEMBL1672942

CCc1cc(C(=N)NO)n(-c2c(C)noc2C)c1-c1ccc(O)cc1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 4/20 0.35
ESR1 P03372 2/20 0.32
ESR2 Q92731 2/20 0.32
BRD2 P25440 2/20 0.32
BRD3 Q15059 2/20 0.32
TP53 P04637 1/20 0.31
ESRRB O95718 1/20 0.31
ESRRA P11474 1/20 0.31
FTO Q9C0B1 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
TAS2R8 Q9NYW2 1/20 0.31
TTR P02766 1/20 0.30
ERN1 O75460 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
SCHEMBL1672940 0.81 BRD4 (0.35) BRD4ESR1ESR2BRD2BRD3
SCHEMBL1672939 0.81 BRD4 (0.35) BRD4ESR1ESR2BRD2BRD3
SCHEMBL1670669 0.78 BRD4 (0.32) BRD4TAS2R8
SCHEMBL1670943 0.78 BRD4 (0.35) BRD4FTO
SCHEMBL1670328 0.76 BRD4 (0.33) BRD4
SCHEMBL1671035 0.75 BRD4 (0.33) BRD4ERN1
SCHEMBL1670960 0.74
SCHEMBL1670276 0.74 BRD4 (0.35) BRD4NPC1TTRERN1
SCHEMBL12986085 0.74 BRD4 (0.34) BRD4
SCHEMBL12986674 0.74 BRD4 (0.32) BRD4TTR

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