SCHEMBL8553427

SCHEMBL8553427

COc1ccc(OC)c(-c2oc(Cc3ccccc3)nc2NS(=O)(=O)c2ccccc2)c1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 3/20 0.48
ALDH1A1 P00352 6/20 0.46
MAPK1 P28482 1/20 0.46
PTK2B Q14289 1/20 0.46
MAPT P10636 3/20 0.45
PIK3CG P48736 2/20 0.44
PTGDR2 Q9Y5Y4 1/20 0.44
GGT1 P19440 1/20 0.44
PIK3C2B O00750 1/20 0.42
PIK3C2G O75747 1/20 0.42
SLC40A1 Q9NP59 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
PGR P06401 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 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
SCHEMBL8559037 0.93 MAPT (0.46) PIK3CDALDH1A1MAPK1PTK2BMAPT
SCHEMBL8559800 0.90 SLC40A1 (0.45) ALDH1A1MAPTGGT1SLC40A1SMN1; SMN2
SCHEMBL8555293 0.88 PIK3CG (0.43) PIK3CDALDH1A1MAPTPIK3CGPTGDR2
SCHEMBL8556822 0.88 PIK3CG (0.43) PIK3CDALDH1A1MAPTPIK3CGPTGDR2
SCHEMBL8556972 0.85 ALDH1A1 (0.49) ALDH1A1MAPTPIK3CGGGT1SMN1; SMN2
SCHEMBL8560689 0.85 ALDH1A1 (0.45) PIK3CDALDH1A1MAPK1PTK2BMAPT
SCHEMBL8559429 0.85 AAK1 (0.45) ALDH1A1MAPK1MAPTSLC40A1NPC1
SCHEMBL8561015 0.85 MAPT (0.48) ALDH1A1MAPTPIK3CGPTGDR2GGT1
SCHEMBL8561648 0.85 PIK3CD (0.46) PIK3CDALDH1A1MAPTPIK3CGGGT1
SCHEMBL8554227 0.84 CCNT1 (0.49) PIK3CDALDH1A1MAPTPIK3CGSLC40A1

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