SCHEMBL10716650

SCHEMBL10716650

O=S(=O)(C(=CNc1ccccc1)S(=O)(=O)c1ccccc1)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.78
▸ PKM P14618 3/20 0.61
▸ ALDH1A1 P00352 3/20 0.50
▸ NPC1 O15118 1/20 0.50
▸ CA2 P00918 5/20 0.49
▸ CA1 P00915 4/20 0.49
▸ CA4 P22748 3/20 0.49
▸ CA9 Q16790 3/20 0.49
▸ MEN1 O00255 5/20 0.48
▸ KMT2A Q03164 5/20 0.48
▸ HTT P42858 1/20 0.47
▸ IL1RN P18510 1/20 0.44
▸ KEAP1 Q14145 1/20 0.44
▸ ERAP1 Q9NZ08 1/20 0.44
▸ MMP1 P03956 1/20 0.41
▸ MMP2 P08253 1/20 0.41
▸ MMP9 P14780 1/20 0.41
▸ MMP8 P22894 1/20 0.41
▸ MMP13 P45452 1/20 0.41
▸ LMNA P02545 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
SCHEMBL10717698 0.88 MAPT (0.72) MAPTPKMALDH1A1NPC1CA2
SCHEMBL10717891 0.88 MAPT (1.00) MAPTPKMALDH1A1NPC1CA2
SCHEMBL10719158 0.84 MAPT (0.71) MAPTPKMALDH1A1NPC1MEN1
SCHEMBL10716463 0.82 MAPT (0.64) MAPTPKMALDH1A1NPC1CA2
SCHEMBL10716583 0.79 MAPT (0.56) MAPTPKMALDH1A1NPC1CA2
SCHEMBL10716377 0.79 MAPT (0.56) MAPTPKMALDH1A1NPC1CA2
SCHEMBL11787040 0.78 MAPT (0.56) MAPTPKMALDH1A1NPC1CA2
SCHEMBL11457925 0.78 CA2 (0.57) MAPTPKMALDH1A1NPC1CA2
SCHEMBL11457926 0.78 CA2 (0.57) MAPTPKMALDH1A1NPC1CA2
SCHEMBL10717722 0.76 MAPT (0.53) MAPTPKMALDH1A1NPC1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4659727-A ANTIARTHRITIC AGENTS MAY & BAKER LIMITED (GB) 1987-04-21 — — US disclosed
EP-0174832-A2 Ethene derivatives MAY & BAKER LIMITED (GB) 1986-03-19 — — EP disclosed
Send feedback