SCHEMBL8556822

SCHEMBL8556822

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

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 5/20 0.43
PIK3CD O00329 2/20 0.42
ALDH1A1 P00352 3/20 0.42
GGT1 P19440 1/20 0.42
PIK3CA P42336 1/20 0.42
PIK3CB P42338 1/20 0.42
GRM2 Q14416 1/20 0.40
MAPT P10636 4/20 0.40
LMNA P02545 2/20 0.40
TP53 P04637 1/20 0.40
HTT P42858 1/20 0.40
PGR P06401 1/20 0.40
SLC40A1 Q9NP59 1/20 0.39
KDM4E B2RXH2 1/20 0.39
BCAT1 P54687 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
STAT3 P40763 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39

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 0.89 MAPT (0.46) PIK3CGPIK3CDALDH1A1GGT1MAPT
SCHEMBL8555293 0.89 PIK3CG (0.43) PIK3CGPIK3CDALDH1A1GGT1MAPT
SCHEMBL8553427 0.88 PIK3CD (0.48) PIK3CGPIK3CDALDH1A1GGT1MAPT
SCHEMBL8561427 0.87 ALDH1A1 (0.42) ALDH1A1GRM2MAPTLMNASLC40A1
SCHEMBL8559918 0.87 MAPT (0.41) PIK3CGPIK3CDALDH1A1PIK3CAPIK3CB
SCHEMBL8556318 0.85 ALDH1A1 (0.44) PIK3CDALDH1A1GGT1GRM2MAPT
SCHEMBL8554227 0.85 CCNT1 (0.49) PIK3CGPIK3CDALDH1A1PIK3CAPIK3CB
SCHEMBL8556636 0.85 MAPT (0.44) ALDH1A1MAPTLMNASLC40A1KDM4E
SCHEMBL8556972 0.84 ALDH1A1 (0.49) PIK3CGALDH1A1GGT1MAPTLMNA
SCHEMBL8559481 0.83 ALDH1A1 (0.40) PIK3CGPIK3CDALDH1A1GGT1PIK3CA

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