SCHEMBL8561648

SCHEMBL8561648

COc1cc(OC)cc(-c2oc(Cc3ccccc3)nc2NS(=O)(=O)c2ccccc2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 3/20 0.46
PIK3CG P48736 2/20 0.45
PIK3CA P42336 2/20 0.45
PIK3CB P42338 1/20 0.45
SLC40A1 Q9NP59 1/20 0.45
ALDH1A1 P00352 3/20 0.43
GGT1 P19440 1/20 0.43
MAPT P10636 4/20 0.43
TP53 P04637 2/20 0.43
LMNA P02545 2/20 0.43
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KMT2A Q03164 1/20 0.41
PIK3C2B O00750 1/20 0.41
PIK3C2G O75747 1/20 0.41
PTPN2 P17706 2/20 0.41
PTPN1 P18031 2/20 0.41
PTPN5 P54829 2/20 0.41
PGR P06401 1/20 0.41
HTT P42858 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
SCHEMBL8561015 0.92 MAPT (0.48) PIK3CGALDH1A1GGT1MAPTTP53
SCHEMBL8556972 0.90 ALDH1A1 (0.49) PIK3CGALDH1A1GGT1MAPTTP53
SCHEMBL8555914 0.87 MAPT (0.43) SLC40A1ALDH1A1GGT1MAPTTP53
SCHEMBL8557996 0.86 MAPT (0.46) SLC40A1ALDH1A1MAPTLMNATSHR
SCHEMBL8559429 0.85 AAK1 (0.45) SLC40A1ALDH1A1MAPTTP53LMNA
SCHEMBL8557471 0.85 MAPT (0.48) ALDH1A1MAPTLMNATSHRKMT2A
SCHEMBL8553427 0.85 PIK3CD (0.48) PIK3CDPIK3CGSLC40A1ALDH1A1GGT1
SCHEMBL8559037 0.84 MAPT (0.46) PIK3CDPIK3CGSLC40A1ALDH1A1GGT1
SCHEMBL8556039 0.84 MAPT (0.44) SLC40A1ALDH1A1MAPTTP53LMNA
SCHEMBL8555551 0.84 MAPT (0.43) SLC40A1ALDH1A1MAPTLMNATSHR

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