SCHEMBL10730945

SCHEMBL10730945

O=S(=O)(C(=CNc1ccc(Br)cn1)S(=O)(=O)c1ccc(Cl)cc1)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 2/20 0.58
▸ ALDH1A1 P00352 5/20 0.46
▸ LMNA P02545 1/20 0.46
▸ ATM Q13315 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ RAB9A P51151 4/20 0.44
▸ NPC1 O15118 2/20 0.44
▸ MAPT P10636 3/20 0.44
▸ POLB P06746 2/20 0.44
▸ MEN1 O00255 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CA4 P22748 1/20 0.39
▸ CA9 Q16790 1/20 0.39

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
SCHEMBL10726837 0.95 PKM (0.50) PKMALDH1A1LMNAATML3MBTL1
SCHEMBL10717754 0.93 ALDH1A1 (0.52) PKMALDH1A1LMNAATML3MBTL1
SCHEMBL10726208 0.90 PKM (0.52) PKMALDH1A1LMNAATML3MBTL1
SCHEMBL10732117 0.90 PKM (0.52) PKMALDH1A1LMNAATML3MBTL1
SCHEMBL10731823 0.88 MAPT (0.59) PKMALDH1A1LMNAATML3MBTL1
SCHEMBL10732434 0.85 NPC1 (0.47) PKMALDH1A1LMNAATML3MBTL1
SCHEMBL10732657 0.85 PKM (0.47) PKMALDH1A1LMNAATML3MBTL1
SCHEMBL10716660 0.83 ALDH1A1 (0.49) PKMALDH1A1LMNAATML3MBTL1
SCHEMBL10732444 0.83 MAPT (0.49) PKMALDH1A1LMNAATML3MBTL1
SCHEMBL10727222 0.83 MAPT (0.50) PKMALDH1A1LMNAATML3MBTL1

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-4647569-A Antiarthritic pyridylaminoethene disulfonyl compounds and use MAY & BAKER LIMITED (GB) 1987-03-03 — — US claimed
US-4647569-A Antiarthritic pyridylaminoethene disulfonyl compounds and use MAY & BAKER LIMITED (GB) 1987-03-03 — — US disclosed
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