SCHEMBL1670720

SCHEMBL1670720

CCCCn1cc(-c2ccc(O)cc2)c(-c2c(C)noc2C)c1C(=N)NO

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.39
BRD4 O60885 3/20 0.38
HDAC3 O15379 15/20 0.36
HDAC1 Q13547 15/20 0.36
HDAC4 P56524 15/20 0.36
HDAC7 Q8WUI4 14/20 0.36
HDAC2 Q92769 14/20 0.36
HDAC10 Q969S8 14/20 0.36
HDAC11 Q96DB2 14/20 0.36
HDAC8 Q9BY41 14/20 0.36
HDAC6 Q9UBN7 14/20 0.36
HDAC9 Q9UKV0 14/20 0.36
HDAC5 Q9UQL6 14/20 0.36
NCOR2 Q9Y618 1/20 0.35
CNR2 P34972 1/20 0.35

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 0.84 BRD4 (0.40) BRD4HDAC3HDAC1HDAC4HDAC7
SCHEMBL1670718 0.82 TLR8 (0.41) TLR8BRD4HDAC3HDAC1HDAC4
SCHEMBL1670714 0.82 TLR8 (0.41) TLR8BRD4HDAC3HDAC1HDAC4
SCHEMBL1670399 0.77 TLR8 (0.39) TLR8BRD4HDAC3HDAC1HDAC4
SCHEMBL1670398 0.77 TLR8 (0.39) TLR8BRD4HDAC3HDAC1HDAC4
SCHEMBL1670736 0.76 BRD4 (0.40) BRD4HDAC3HDAC1HDAC4HDAC7
SCHEMBL1672865 0.75 BRD4 (0.37) BRD4HDAC6
SCHEMBL1682518 0.74 BRD4 (0.40) BRD4HDAC6
SCHEMBL1670529 0.73 BRD4 (0.38) BRD4HDAC6
SCHEMBL12800384 0.73 BRD4 (0.39) BRD4

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