SCHEMBL1670398

SCHEMBL1670398

CCCCn1cc(-c2ccc(O)cc2)c(-c2c(C)noc2C)c1/C=N/O

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.39
BRD4 O60885 9/20 0.36
MLYCD O95822 1/20 0.34
CNR2 P34972 1/20 0.34
ERN1 O75460 1/20 0.33
BRD2 P25440 1/20 0.33
CREBBP Q92793 1/20 0.33
HDAC3 O15379 7/20 0.32
HDAC4 P56524 7/20 0.32
HDAC1 Q13547 7/20 0.32
HDAC7 Q8WUI4 7/20 0.32
HDAC2 Q92769 7/20 0.32
HDAC10 Q969S8 7/20 0.32
HDAC11 Q96DB2 7/20 0.32
HDAC8 Q9BY41 7/20 0.32
HDAC6 Q9UBN7 7/20 0.32
HDAC9 Q9UKV0 7/20 0.32
HDAC5 Q9UQL6 7/20 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
SCHEMBL1670399 1.00 TLR8 (0.39) TLR8BRD4MLYCDCNR2ERN1
SCHEMBL1670786 0.90 MLYCD (0.39) BRD4MLYCDERN1BRD2CREBBP
SCHEMBL1670785 0.90 MLYCD (0.39) BRD4MLYCDERN1BRD2CREBBP
SCHEMBL1670714 0.83 TLR8 (0.41) TLR8BRD4MLYCDCNR2BRD2
SCHEMBL1670718 0.83 TLR8 (0.41) TLR8BRD4MLYCDCNR2BRD2
SCHEMBL1670720 0.77 TLR8 (0.39) TLR8BRD4CNR2HDAC3HDAC4
SCHEMBL12801012 0.77 BRD4 (0.47) BRD4MLYCDERN1BRD2CREBBP
SCHEMBL1672893 0.75 MLYCD (0.41) BRD4MLYCDERN1BRD2CREBBP
SCHEMBL1672895 0.75 MLYCD (0.41) BRD4MLYCDERN1BRD2CREBBP
SCHEMBL1682611 0.73 BRD4 (0.38) BRD4MLYCDERN1BRD2CREBBP

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