SCHEMBL1672894

SCHEMBL1672894

Cc1noc(C)c1-c1c(-c2ccc(O)cc2)c(-c2ccc(F)c(F)c2)n(C)c1/C(N)=N/O

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 2/20 0.38
BRD4 O60885 14/20 0.35
USP7 Q93009 1/20 0.33
MLYCD O95822 1/20 0.33
CREBBP Q92793 2/20 0.32
FFAR1 O14842 1/20 0.32
BRD2 P25440 1/20 0.32
BTK Q06187 1/20 0.31

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
SCHEMBL1672896 1.00 ERN1 (0.38) ERN1BRD4USP7MLYCDCREBBP
SCHEMBL12801014 0.84 ERN1 (0.41) ERN1BRD4USP7MLYCDCREBBP
SCHEMBL1672899 0.83 ERN1 (0.38) ERN1BRD4MLYCDCREBBPFFAR1
SCHEMBL1671312 0.83 BRD4 (0.42) BRD4MLYCDCREBBPBRD2
SCHEMBL1671314 0.83 BRD4 (0.42) BRD4MLYCDCREBBPBRD2
SCHEMBL1670732 0.81 MLYCD (0.38) ERN1BRD4MLYCDCREBBPBRD2
SCHEMBL1670734 0.81 MLYCD (0.38) ERN1BRD4MLYCDCREBBPBRD2
SCHEMBL1670622 0.79 ERN1 (0.39) ERN1BRD4MLYCDCREBBPFFAR1
SCHEMBL1670526 0.79 BRD4 (0.36) ERN1BRD4MLYCDCREBBPBRD2
SCHEMBL1670528 0.79 BRD4 (0.36) ERN1BRD4MLYCDCREBBPBRD2

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