SCHEMBL8556744

SCHEMBL8556744

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 7/20 0.44
PTPN1 P18031 2/20 0.42
PTPN5 P54829 2/20 0.42
PGR P06401 1/20 0.42
ADAMTS4 O75173 1/20 0.41
F2 P00734 1/20 0.39
SLC40A1 Q9NP59 1/20 0.39
HSPD1 P10809 1/20 0.39
PTPN2 P17706 1/20 0.39
HSPE1 P61604 1/20 0.39
AR P10275 1/20 0.39
PIK3CD O00329 1/20 0.38
PIK3CA P42336 1/20 0.38
PIK3CB P42338 1/20 0.38
PIK3CG P48736 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38

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
SCHEMBL8553642 0.89 AR (0.46) PTPN1PTPN5PGRPTPN2AR
SCHEMBL8560966 0.89 AR (0.48) GRM5PTPN1PTPN5SLC40A1HSPD1
SCHEMBL8557997 0.89 AR (0.51) PTPN1PTPN5PTPN2AR
SCHEMBL8559014 0.88 MAPT (0.48) PTPN1PGRPTPN2PIK3CDPIK3CA
SCHEMBL8558776 0.88 MAPT (0.44) PGRARHTR1AHTR7
SCHEMBL8553921 0.86 MEN1 (0.48) KAT6A
SCHEMBL8559033 0.84 GRM5 (0.44) GRM5PTPN1PTPN5PGRADAMTS4
SCHEMBL9025133 0.83 AR (0.46) SLC40A1AR
SCHEMBL9025890 0.82 AR (0.45) GRM5PTPN1ARKAT6A
SCHEMBL8555993 0.82 HPGD (0.46) GRM5PTPN1PTPN5SLC40A1PTPN2

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