SCHEMBL8559429

SCHEMBL8559429

COc1ccc(-c2oc(Cc3ccccc3)nc2NS(=O)(=O)c2ccccc2)cc1OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 1/20 0.45
MAPK1 P28482 3/20 0.45
TSHR P16473 2/20 0.45
HTT P42858 1/20 0.44
MAPT P10636 5/20 0.44
TP53 P04637 2/20 0.44
CA12 O43570 1/20 0.43
CA9 Q16790 1/20 0.43
ABCB1 P08183 1/20 0.43
ABCG2 Q9UNQ0 1/20 0.43
SLC40A1 Q9NP59 1/20 0.43
ALDH1A1 P00352 2/20 0.42
LMNA P02545 2/20 0.42
PI4KB Q9UBF8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
POLB P06746 1/20 0.41
KAT7 O95251 1/20 0.41
KAT6B Q8WYB5 1/20 0.41
KAT6A Q92794 1/20 0.41
KAT5 Q92993 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
SCHEMBL8560735 0.91 PTGS2 (0.43) TSHRMAPTTP53SLC40A1ALDH1A1
SCHEMBL8560184 0.91 MAPT (0.46) TSHRMAPTTP53SLC40A1ALDH1A1
SCHEMBL8555756 0.91 MAPT (0.46) MAPK1TSHRMAPTTP53SLC40A1
SCHEMBL8556972 0.86 ALDH1A1 (0.49) HTTMAPTTP53ALDH1A1LMNA
SCHEMBL9026371 0.86 KMT2A (0.41) TSHRMAPTTP53SLC40A1PI4KB
SCHEMBL9026127 0.86 MAPT (0.42) MAPK1MAPTTP53SLC40A1ALDH1A1
SCHEMBL8561015 0.86 MAPT (0.48) HTTMAPTTP53ALDH1A1LMNA
SCHEMBL8561648 0.85 PIK3CD (0.46) TSHRHTTMAPTTP53SLC40A1
SCHEMBL8553427 0.85 PIK3CD (0.48) MAPK1MAPTTP53SLC40A1ALDH1A1
SCHEMBL8558253 0.84 ALDH1A1 (0.44) MAPK1TSHRHTTMAPTTP53

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