SCHEMBL8556318

SCHEMBL8556318

COc1ccc(-c2nc(Cc3ccccc3)oc2NS(=O)(=O)c2ccccc2)c(F)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
MAPT P10636 4/20 0.44
GGT1 P19440 1/20 0.42
SLC40A1 Q9NP59 1/20 0.41
LMNA P02545 2/20 0.40
TP53 P04637 2/20 0.40
PGR P06401 2/20 0.40
KIT P10721 1/20 0.39
KMT2A Q03164 2/20 0.39
BCAT1 P54687 1/20 0.39
MEN1 O00255 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
STAT3 P40763 1/20 0.39
PIK3CD O00329 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
CKS1B P61024 1/20 0.39
SKP2 Q13309 1/20 0.39
GRM2 Q14416 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL8557661 0.89 ALDH1A1 (0.45) ALDH1A1MAPTGGT1SLC40A1LMNA
SCHEMBL8554218 0.89 ALDH1A1 (0.44) ALDH1A1MAPTGGT1SLC40A1LMNA
SCHEMBL8560689 0.87 ALDH1A1 (0.45) ALDH1A1MAPTGGT1SLC40A1LMNA
SCHEMBL8559359 0.87 ALDH1A1 (0.47) ALDH1A1MAPTSLC40A1LMNAKIT
SCHEMBL8560599 0.87 MAPT (0.46) ALDH1A1MAPTSLC40A1LMNAKIT
SCHEMBL8556822 0.85 PIK3CG (0.43) ALDH1A1MAPTGGT1SLC40A1LMNA
SCHEMBL8560974 0.85 ALDH1A1 (0.44) ALDH1A1MAPTSLC40A1PGRSMN1; SMN2
SCHEMBL8560513 0.85 MAPT (0.49) ALDH1A1MAPTSLC40A1LMNAKMT2A
SCHEMBL8553397 0.84 ALDH1A1 (0.49) ALDH1A1MAPTGGT1SLC40A1LMNA
SCHEMBL8557783 0.83 ALDH1A1 (0.45) ALDH1A1MAPTGGT1SLC40A1LMNA

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