SCHEMBL1672903

SCHEMBL1672903

CC#Cc1c(-c2ccc(O)cc2)c(-c2c(C)noc2C)c(C(N)=NO)n1C

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 16/20 0.35
BRD2 P25440 2/20 0.33
MLYCD O95822 1/20 0.33
CREBBP Q92793 3/20 0.32
ERN1 O75460 1/20 0.32
ATAD2 Q6PL18 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
SCHEMBL1672902 1.00 BRD4 (0.35) BRD4BRD2MLYCDCREBBPERN1
SCHEMBL1670734 0.83 MLYCD (0.38) BRD4BRD2MLYCDCREBBPERN1
SCHEMBL1670732 0.83 MLYCD (0.38) BRD4BRD2MLYCDCREBBPERN1
SCHEMBL12801001 0.83 BRD4 (0.39) BRD4BRD2MLYCDCREBBPERN1
SCHEMBL1670766 0.82
SCHEMBL1670761 0.82
SCHEMBL1672905 0.82 BRD4 (0.37) BRD4BRD2MLYCDCREBBPERN1
SCHEMBL1670528 0.81 BRD4 (0.36) BRD4BRD2MLYCDCREBBPERN1
SCHEMBL1670526 0.81 BRD4 (0.36) BRD4BRD2MLYCDCREBBPERN1
SCHEMBL1671312 0.81 BRD4 (0.42) 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 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