SCHEMBL20764356

SCHEMBL20764356

CC(F)(F)c1cccc(NC(=O)c2ccc(-c3ccc(O)cc3)s2)c1

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ESRRG P62508 17/20 0.69
▸ ESR1 P03372 6/20 0.69
▸ ESR2 Q92731 3/20 0.69
▸ MAPT P10636 3/20 0.55
▸ TP53 P04637 2/20 0.55
▸ SMN1; SMN2 Q16637 2/20 0.55
▸ RXFP1 Q9HBX9 1/20 0.55
▸ KDM4E B2RXH2 1/20 0.54
▸ MEN1 O00255 1/20 0.54
▸ NPC1 O15118 1/20 0.54
▸ RAB9A P51151 1/20 0.54
▸ KMT2A Q03164 1/20 0.54

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
SCHEMBL20764037 0.91 ESRRG (0.72) ESRRGESR1ESR2MAPTTP53
SCHEMBL20764024 0.82 ESRRG (1.00) ESRRGESR1ESR2MAPTTP53
SCHEMBL31337285 0.82 ESRRG (1.00) ESRRGESR1ESR2MAPTTP53
SCHEMBL20746251 0.82 ESRRG (1.00) ESRRGESR1ESR2MAPTTP53
SCHEMBL20764084 0.81 ESRRG (0.74) ESRRGESR1ESR2RXFP1NPC1
SCHEMBL20764056 0.80 ESRRG (1.00) ESRRGESR1ESR2MAPTTP53
SCHEMBL20764242 0.79 ESRRG (0.74) ESRRGESR1ESR2MAPTSMN1; SMN2
SCHEMBL20764093 0.79 ESRRG (0.74) ESRRGESR1ESR2MAPTSMN1; SMN2
SCHEMBL20764045 0.78 IDE (0.62) ESRRGESR1ESR2MAPTTP53
SCHEMBL20764006 0.76 ESRRG (0.71) ESRRGESR1ESR2MAPTTP53

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-2019036562-A1 ERR INVERSE AGONISTS SAINT LOUIS UNIVERSITY (US) 2019-02-21 — — WO disclosed
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