SCHEMBL8560689

SCHEMBL8560689

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.45
MAPT P10636 2/20 0.45
SLC40A1 Q9NP59 2/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.43
GGT1 P19440 1/20 0.43
PIK3CD O00329 1/20 0.43
MAPK1 P28482 3/20 0.43
PTK2B Q14289 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
KDM4E B2RXH2 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SCN9A Q15858 1/20 0.41
RECQL P46063 1/20 0.41
LMNA P02545 2/20 0.41
TSHR P16473 1/20 0.41
TP53 P04637 1/20 0.41
PGR P06401 1/20 0.40
MEN1 O00255 1/20 0.40

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 0.92 ALDH1A1 (0.45) ALDH1A1MAPTSLC40A1PTGDR2GGT1
SCHEMBL8557951 0.89 ALDH1A1 (0.49) ALDH1A1MAPTSLC40A1GGT1MAPK1
SCHEMBL8556318 0.87 ALDH1A1 (0.44) ALDH1A1MAPTSLC40A1PTGDR2GGT1
SCHEMBL8554218 0.87 ALDH1A1 (0.44) ALDH1A1MAPTSLC40A1PTGDR2GGT1
SCHEMBL9026442 0.86 ALDH1A1 (0.46) ALDH1A1MAPTSLC40A1GGT1MAPK1
SCHEMBL8553427 0.85 PIK3CD (0.48) ALDH1A1MAPTSLC40A1PTGDR2GGT1
SCHEMBL8553397 0.85 ALDH1A1 (0.49) ALDH1A1MAPTSLC40A1GGT1RAB9A
SCHEMBL8559957 0.84 MAPT (0.47) ALDH1A1MAPTSLC40A1MAPK1L3MBTL1
SCHEMBL8556290 0.84 MAPT (0.51) ALDH1A1MAPTSLC40A1PTGDR2GGT1
SCHEMBL8556104 0.84 ALDH1A1 (0.48) ALDH1A1MAPTSLC40A1GGT1SMN1; SMN2

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