SCHEMBL10726113

SCHEMBL10726113

O=C(c1ccc(NC=C(S(=O)(=O)c2ccccc2)S(=O)(=O)c2ccccc2)nc1)C1CCCCN1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 1/20 0.40
▸ HCAR3 P49019 3/20 0.37
▸ MAPT P10636 1/20 0.37
▸ F2R P25116 1/20 0.36
▸ ELANE P08246 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ CTSC P53634 1/20 0.33
▸ HDAC3 O15379 1/20 0.33
▸ HDAC4 P56524 1/20 0.33
▸ HDAC1 Q13547 1/20 0.33
▸ HDAC7 Q8WUI4 1/20 0.33
▸ HDAC2 Q92769 1/20 0.33
▸ HDAC10 Q969S8 1/20 0.33

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
SCHEMBL10716578 0.76 PKM (0.49) PKMHCAR3MAPTHDAC3HDAC4
SCHEMBL10728346 0.74 BAZ2B (0.48) PKMHCAR3MAPTALDH1A1SMN1; SMN2
SCHEMBL10726379 0.74 PKM (0.47) PKMMAPTALDH1A1CYP3A4CYP2D6
SCHEMBL10726100 0.74 GRM5 (0.60) PKMMAPTALDH1A1LMNA
SCHEMBL10731246 0.74 PKM (0.45) PKMHCAR3MAPTALDH1A1LMNA
SCHEMBL10727069 0.73 ALDH1A1 (0.52) PKMHCAR3MAPTALDH1A1SMN1; SMN2
SCHEMBL10726333 0.73 PKM (0.48) PKMHCAR3MAPTALDH1A1HDAC3
SCHEMBL10729011 0.71 L3MBTL1 (0.50) PKMHCAR3MAPTALDH1A1SMN1; SMN2
SCHEMBL10729039 0.70 PKM (0.56) PKMMAPTALDH1A1KMT2A
SCHEMBL10726196 0.70 PKM (0.52) PKMMAPTALDH1A1SMN1; SMN2CYP2C9

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