SCHEMBL3681876

SCHEMBL3681876

N#CC1=C(c2cc(F)c(O)c(F)c2)C2C(=NO)CCC2C1

nearest known ligand 0.30

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.30
ESR2 Q92731 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
SCHEMBL3683707 0.64 ESR1 (0.32) ESR1ESR2
SCHEMBL3683709 0.64 ESR1 (0.32) ESR1ESR2
SCHEMBL3680706 0.56 ALDH1A1 (0.31)
SCHEMBL3680704 0.56 ALDH1A1 (0.31)
SCHEMBL833139 0.55 ESR1 (0.56) ESR1ESR2
SCHEMBL198609 0.54 TTR (0.52) ESR1ESR2
SCHEMBL7228077 0.54 MMP3 (0.57) ESR1ESR2
SCHEMBL24365262 0.52 NOS3 (0.39) ESR1ESR2
SCHEMBL16211776 0.49 KDM4E (0.37)
SCHEMBL8432063 0.48

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2176209-A1 NOVEL ESTROGEN RECEPTOR LIGANDS KARO BIO AB (SE) 2010-04-21 EP disclosed
WO-2009012954-A1 NOVEL ESTROGEN RECEPTOR LIGANDS KARO BIO AB (SE) 2009-01-29 WO disclosed