SCHEMBL8559014

SCHEMBL8559014

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.48
TP53 P04637 2/20 0.48
POLB P06746 1/20 0.48
PGR P06401 3/20 0.46
KDM1A O60341 3/20 0.45
MAPK1 P28482 3/20 0.45
RAB9A P51151 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
LMNA P02545 2/20 0.45
GAA P10253 1/20 0.44
PTPN2 P17706 1/20 0.42
PTPN1 P18031 1/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.42
HTR1A P08908 1/20 0.42
HTR7 P34969 1/20 0.42
FBP1 P09467 2/20 0.41
TSHR P16473 1/20 0.41
MAOA P21397 1/20 0.41
PIK3CD O00329 1/20 0.41
PIK3CA P42336 1/20 0.41

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
SCHEMBL8558776 0.93 MAPT (0.44) MAPTTP53POLBPGRKDM1A
SCHEMBL8553642 0.89 AR (0.46) MAPTPOLBPGRMAPK1RAB9A
SCHEMBL8557266 0.89 AR (0.51) MAPTTP53POLBPGRKDM1A
SCHEMBL8556744 0.88 GRM5 (0.44) PGRPTPN2PTPN1HTR1AHTR7
SCHEMBL8553921 0.86 MEN1 (0.48) RAB9A
SCHEMBL8555920 0.84 PGR (0.46) MAPTTP53POLBPGRKDM1A
SCHEMBL9025133 0.83 AR (0.46) MAPTPOLBMAPK1RAB9ALMNA
SCHEMBL8560966 0.82 AR (0.48) MAPTPOLBPTPN2PTPN1PTGDR2
SCHEMBL8557997 0.82 AR (0.51) MAPTPOLBRAB9AGAAPTPN2
SCHEMBL8555239 0.82 MAPT (0.48) MAPTTP53MAPK1RAB9ALMNA

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