SCHEMBL8558776

SCHEMBL8558776

O=S(=O)(Nc1oc(COc2cccc(Cl)c2)nc1-c1ccc(F)cc1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.44
POLB P06746 2/20 0.44
TP53 P04637 2/20 0.44
PTGDR2 Q9Y5Y4 1/20 0.43
PGR P06401 2/20 0.42
MAPK1 P28482 2/20 0.42
RAB9A P51151 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
GAA P10253 1/20 0.41
PTGS2 P35354 2/20 0.41
LMNA P02545 2/20 0.41
MALT1 Q9UDY8 2/20 0.40
AR P10275 1/20 0.40
KDM1A O60341 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
PTGS1 P23219 1/20 0.39
HTR1A P08908 1/20 0.39
HTR7 P34969 1/20 0.39

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
SCHEMBL8559014 0.93 MAPT (0.48) MAPTPOLBTP53PTGDR2PGR
SCHEMBL8560966 0.90 AR (0.48) MAPTPOLBPTGDR2ARMEN1
SCHEMBL8556744 0.88 GRM5 (0.44) PGRARHTR1AHTR7
SCHEMBL8557997 0.86 AR (0.51) MAPTPOLBPTGDR2RAB9AGAA
SCHEMBL8553642 0.83 AR (0.46) MAPTPOLBPGRMAPK1RAB9A
SCHEMBL8557266 0.82 AR (0.51) MAPTPOLBTP53PGRMAPK1
SCHEMBL8560603 0.82 GRM5 (0.44) MAPTPOLBPTGS2ARMEN1
SCHEMBL9025890 0.80 AR (0.45) ARMEN1KMT2A
SCHEMBL8553921 0.80 MEN1 (0.48) RAB9AMEN1KMT2A
SCHEMBL8559953 0.79 AR (0.45) MAPTPOLBPTGS2ARMEN1

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
US-5719163-A ARTHRITIS G.D. SEARLE & CO. (US) 1998-02-17 US disclosed