SCHEMBL8555920

SCHEMBL8555920

O=S(=O)(Nc1nc(COc2cccc(Cl)c2)oc1-c1ccccc1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 3/20 0.46
MAPT P10636 3/20 0.45
TP53 P04637 2/20 0.45
LMNA P02545 1/20 0.45
GAA P10253 1/20 0.44
KDM1A O60341 3/20 0.43
MAOA P21397 2/20 0.43
POLB P06746 1/20 0.43
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 3/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
KDM4E B2RXH2 1/20 0.41
PIK3CD O00329 1/20 0.41
PIK3CA P42336 1/20 0.41
PIK3CB P42338 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
SCHEMBL8561913 0.89 AR (0.46) MAPTLMNAGAAPOLBTSHR
SCHEMBL8557604 0.89 AR (0.51) PGRGAAKDM1APOLBPTPN2
SCHEMBL8559033 0.88 GRM5 (0.44) PGRMAPTPTPN2PTPN1HTR1A
SCHEMBL8558557 0.86 MEN1 (0.48) KMT2A
SCHEMBL8559014 0.84 MAPT (0.48) PGRMAPTTP53LMNAGAA
SCHEMBL9025550 0.83 AR (0.46) PGRMAPTLMNAGAAPOLB
SCHEMBL8556135 0.82 MAPT (0.48) MAPTTP53LMNAGAAPOLB
SCHEMBL8555123 0.82 AR (0.51) MAPTGAAPOLBPTPN2PTPN1
SCHEMBL8554235 0.80 MEN1 (0.45) GAATSHRKMT2ATDP1
SCHEMBL8556146 0.80 PGR (0.50) PGRMAPTTP53LMNAGAA

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