SCHEMBL10726379

SCHEMBL10726379

COC(=O)c1ccc(NC=C(S(=O)(=O)c2ccccc2)S(=O)(=O)c2ccccc2)nc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 2/20 0.47
▸ MAPT P10636 1/20 0.47
▸ KDM4E B2RXH2 3/20 0.45
▸ MAPK1 P28482 2/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ KMT2A Q03164 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ GABRA5 P31644 1/20 0.42
▸ RAB9A P51151 3/20 0.42
▸ NPC1 O15118 2/20 0.42
▸ ALDH1A1 P00352 3/20 0.41
▸ GAA P10253 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ HDAC3 O15379 1/20 0.41
▸ HDAC4 P56524 1/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ HDAC7 Q8WUI4 1/20 0.41
▸ HDAC2 Q92769 1/20 0.41
▸ HDAC10 Q969S8 1/20 0.41
▸ HDAC11 Q96DB2 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
SCHEMBL10728346 0.85 BAZ2B (0.48) PKMMAPTKDM4EMAPK1L3MBTL1
SCHEMBL10716578 0.85 PKM (0.49) PKMMAPTHDAC3HDAC4HDAC1
SCHEMBL10731246 0.82 PKM (0.45) PKMMAPTKDM4EMAPK1ALDH1A1
SCHEMBL10727069 0.82 ALDH1A1 (0.52) PKMMAPTKDM4EKMT2AMEN1
SCHEMBL10726333 0.81 PKM (0.48) PKMMAPTALDH1A1HDAC3HDAC4
SCHEMBL10729011 0.81 L3MBTL1 (0.50) PKMMAPTL3MBTL1ALDH1A1GAA
SCHEMBL10725612 0.79 HCAR3 (0.46) PKMMAPTKDM4EKMT2AMEN1
SCHEMBL10726100 0.78 GRM5 (0.60) PKMMAPTKDM4EL3MBTL1ALDH1A1
SCHEMBL13064470 0.78 HDAC3 (0.62) MAPTKDM4EMAPK1L3MBTL1KMT2A
SCHEMBL10726196 0.78 PKM (0.52) PKMMAPTALDH1A1POLBCYP2C9

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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