SCHEMBL8559033

SCHEMBL8559033

O=S(=O)(Nc1nc(COc2cccc(F)c2)oc1-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 2/20 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 2/20 0.38
PIK3CA P42336 1/20 0.38
PIK3CB P42338 1/20 0.38
PIK3CG P48736 1/20 0.38
KAT6A Q92794 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4D Q08499 1/20 0.38
HTR1A P08908 1/20 0.37
HTR7 P34969 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL8561913 0.89 AR (0.46) ARMAPT
SCHEMBL8555123 0.89 AR (0.51) PTPN1PTPN5PTPN2ARPIK3CD
SCHEMBL8555920 0.88 PGR (0.46) PTPN1PGRPTPN2PIK3CDPIK3CA
SCHEMBL8558557 0.86 MEN1 (0.48) KAT6A
SCHEMBL8556744 0.84 GRM5 (0.44) GRM5PTPN1PTPN5PGRADAMTS4
SCHEMBL9025550 0.83 AR (0.46) PGRARMAPT
SCHEMBL9026048 0.82 MEN1 (0.50) GRM5PTPN1ARKAT6A
SCHEMBL8558438 0.82 HPGD (0.41) GRM5PTPN1PTPN5PTPN2MAPT
SCHEMBL8557604 0.82 AR (0.51) PTPN1PTPN5PGRPTPN2AR
SCHEMBL8554235 0.80 MEN1 (0.45) AR

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