SCHEMBL19903988

SCHEMBL19903988

C=C(C)/C=C/c1ccc(C(=O)c2c(-c3ccc(O)cc3)sc3cc(O)ccc23)cc1

nearest known ligand 0.69

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 19/20 0.65
ESR2 Q92731 10/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
TDP1 Q9NUW8 1/20 0.53

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
SCHEMBL7623508 0.87 ESR1 (0.67) ESR1ESR2
SCHEMBL7623500 0.87 ESR1 (0.67) ESR1ESR2
SCHEMBL25079639 0.85 ESR1 (0.81) ESR1ESR2MEN1KMT2ATDP1
SCHEMBL8627690 0.83 ESR1 (0.60) ESR1ESR2MEN1KMT2ATDP1
SCHEMBL1665657 0.83 ESR1 (0.86) ESR1ESR2MEN1KMT2ATDP1
SCHEMBL7104864 0.80 ESR1 (1.00) ESR1ESR2MEN1KMT2ATDP1
SCHEMBL31683627 0.77 ESR1 (0.81) ESR1ESR2MEN1KMT2ATDP1
SCHEMBL8562371 0.77 ESR1 (0.76) ESR1ESR2MEN1KMT2ATDP1
SCHEMBL8631942 0.77 ESR1 (0.81) ESR1ESR2MEN1KMT2ATDP1
SCHEMBL8626952 0.77 ESR1 (0.80) ESR1ESR2MEN1KMT2ATDP1

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
EP-2958907-B1 BENZOTHIOPHENE DERIVATIVES AND COMPOSITIONS THEREOF AS SELECTIVE ESTROGEN RECEPTOR DEGRADERS NOVARTIS AG (CH) 2018-02-28 EP disclosed