SCHEMBL1671024

SCHEMBL1671024

Cc1cc(-c2ccc(O)c(F)c2)n(-c2c(C)noc2C)c1C(=N)NO

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.34
AR P10275 1/20 0.32
TNIK Q9UKE5 1/20 0.32
MIF P14174 1/20 0.32
ESR1 P03372 2/20 0.32
ESR2 Q92731 2/20 0.32
ERN1 O75460 2/20 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
SCHEMBL1670276 0.86 BRD4 (0.35) TTRERN1
SCHEMBL1670515 0.83 ESR1 (0.33) TTRMIFESR1ESR2ERN1
SCHEMBL1671022 0.82 KDM1A (0.35) TTRARTNIKMIFESR1
SCHEMBL1671019 0.82 KDM1A (0.35) TTRARTNIKMIFESR1
SCHEMBL1670808 0.82 TTR (0.34) TTRARESR1ESR2
SCHEMBL1671187 0.76 ERN1 (0.34) TTRARTNIKMIFESR1
SCHEMBL1671189 0.76 ERN1 (0.34) TTRARTNIKMIFESR1
SCHEMBL1672792 0.73 ERN1 (0.38) ERN1
SCHEMBL1682414 0.73 ERN1 (0.38) ESR1ESR2ERN1
SCHEMBL1672988 0.71 ERN1 (0.40) ESR1ESR2ERN1

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