SCHEMBL4948367

SCHEMBL4948367

N#Cc1cc(O)ccc1-c1ccc(-c2sccc2N)cc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 9/20 0.43
ESR1 P03372 9/20 0.40
AR P10275 2/20 0.39
CYP19A1 P11511 1/20 0.38
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.36
PIM1 P11309 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
STS P08842 1/20 0.34
ADORA1 P30542 1/20 0.34
ESRRB O95718 1/20 0.33
ESRRA P11474 1/20 0.33

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
SCHEMBL4953419 0.86 PTGS1 (0.39) ESR2PTGS1MEN1KMT2ASTS
SCHEMBL4948327 0.84 STS (0.49) ESR2PTGS1STS
SCHEMBL4950454 0.83 PTGS1 (0.50) PTGS1PTGS2
SCHEMBL4948364 0.83 ESR2 (0.40) ESR2ESR1ARCYP19A1PTGS1
SCHEMBL4950921 0.81 PTGS1 (0.46) PTGS1STS
SCHEMBL4948159 0.80 ESR2 (0.51) ESR2PTGS1PTGS2MEN1KMT2A
SCHEMBL4951189 0.78 PTGS1 (0.34) PTGS1STS
SCHEMBL4945657 0.78 VCAM1 (0.45) MEN1KMT2A
SCHEMBL4950501 0.77 PTGS1 (0.39) ESR2PTGS1MEN1KMT2A
SCHEMBL4947779 0.75 SCN9A (0.47)

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-1893597-B1 AMPA RECEPTOR POTENTIATORS LILLY CO ELI (US) 2008-11-12 EP disclosed