SCHEMBL1672905

SCHEMBL1672905

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

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 11/20 0.37
BRD2 P25440 1/20 0.33
MLYCD O95822 1/20 0.33
HDAC6 Q9UBN7 1/20 0.32
ERN1 O75460 1/20 0.32
CREBBP Q92793 1/20 0.31
USP30 Q70CQ3 2/20 0.31
NR3C1 P04150 1/20 0.30
PGR P06401 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
SCHEMBL1670736 0.84 BRD4 (0.40) BRD4BRD2MLYCDHDAC6ERN1
SCHEMBL1670768 0.82
SCHEMBL1672902 0.82 BRD4 (0.35) BRD4BRD2MLYCDERN1CREBBP
SCHEMBL1672903 0.82 BRD4 (0.35) BRD4BRD2MLYCDERN1CREBBP
SCHEMBL1670529 0.81 BRD4 (0.38) BRD4BRD2MLYCDHDAC6ERN1
SCHEMBL1671315 0.81 BRD4 (0.42) BRD4BRD2MLYCDCREBBPUSP30
SCHEMBL12801001 0.81 BRD4 (0.39) BRD4BRD2MLYCDERN1CREBBP
SCHEMBL1672878 0.78
SCHEMBL1671529 0.78 BRD4 (0.36) BRD4BRD2MLYCDHDAC6ERN1
SCHEMBL1672810 0.78 BRD4 (0.40) BRD4BRD2MLYCDHDAC6ERN1

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