SCHEMBL8559957

SCHEMBL8559957

COc1ccc(-c2nc(Cc3ccccc3)oc2NS(=O)(=O)c2ccccc2)cc1OC

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.47
ALDH1A1 P00352 2/20 0.47
MAPK1 P28482 4/20 0.46
TSHR P16473 2/20 0.46
LMNA P02545 2/20 0.46
SLC40A1 Q9NP59 1/20 0.45
AAK1 Q2M2I8 1/20 0.45
HTT P42858 1/20 0.44
CA12 O43570 1/20 0.43
CA9 Q16790 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
TP53 P04637 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
PI4KB Q9UBF8 1/20 0.41
NPC1 O15118 1/20 0.41
NR2F2 P24468 1/20 0.41
RAB9A P51151 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
SCHEMBL9026442 0.95 ALDH1A1 (0.46) MAPTALDH1A1MAPK1TSHRLMNA
SCHEMBL8561122 0.91 MAPT (0.44) MAPTALDH1A1MAPK1TSHRLMNA
SCHEMBL8561410 0.91 PTGS2 (0.47) MAPTALDH1A1MAPK1TSHRLMNA
SCHEMBL8559468 0.91 ALDH1A1 (0.44) MAPTALDH1A1MAPK1TSHRLMNA
SCHEMBL8553397 0.86 ALDH1A1 (0.49) MAPTALDH1A1LMNASLC40A1HTT
SCHEMBL9025121 0.86 ALDH1A1 (0.40) MAPTALDH1A1MAPK1LMNASLC40A1
SCHEMBL9025385 0.86 PTGS1 (0.43) MAPTALDH1A1LMNASLC40A1PI4KB
SCHEMBL9025116 0.86 MAPT (0.42) MAPTALDH1A1TSHRLMNASLC40A1
SCHEMBL8556290 0.86 MAPT (0.51) MAPTALDH1A1LMNASLC40A1HTT
SCHEMBL8556104 0.85 ALDH1A1 (0.48) MAPTALDH1A1TSHRLMNASLC40A1

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