SCHEMBL7272562

SCHEMBL7272562

COc1ccc(S(=O)(=O)c2nccn2C(C)C)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 5/20 0.50
▸ GAA P10253 1/20 0.44
▸ POLB P06746 3/20 0.43
▸ HTT P42858 3/20 0.41
▸ MMP1 P03956 2/20 0.41
▸ MMP13 P45452 2/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ MMP2 P08253 1/20 0.41
▸ MMP9 P14780 1/20 0.41
▸ MMP8 P22894 1/20 0.41
▸ MAPT P10636 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ RAPGEF4 Q8WZA2 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ AKR1B1 P15121 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ PKLR P30613 1/20 0.40
▸ RAB9A P51151 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
SCHEMBL7268077 0.72 CYP1A2 (0.54) PKMPOLBALDH1A1NPC1RAB9A
SCHEMBL13074716 0.70 PKM (1.00) PKMGAAPOLBHTTMMP1
SCHEMBL835692 0.70 PKM (1.00) PKMGAAPOLBHTTMMP1
SCHEMBL14486413 0.70 PKM (1.00) PKMGAAPOLBHTTMMP1
SCHEMBL7266007 0.68 PKM (0.64) PKMGAAPOLBHTTMMP1
SCHEMBL7267109 0.68 PKM (0.76) PKMGAAPOLBHTTMMP1
SCHEMBL9054589 0.66 PKM (0.73) PKMGAAHTTMMP1MMP13
SCHEMBL14486067 0.66 PKM (0.60) PKMGAAPOLBHTTMMP13
SCHEMBL19008825 0.65 PKM (0.86) PKMGAAHTTMMP1MMP13
SCHEMBL14148915 0.65 PKM (0.86) PKMGAAHTTMMP1MMP13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0302793-B1 Aralkylaminoalkoxyphenyl derivatives, process of preparation and compositions containing the same SANOFI ELF (FR) 1993-12-15 — — EP disclosed
US-5215988-A Treating angina, hypertension, arrhythmia, cerebral vascular insufficiency SANOFI (FR) 1993-06-01 — — US disclosed
US-5147878-A Hypotensive, antiarrhythmia agents SANOFI (FR) 1992-09-15 — — US disclosed
US-5017579-A Use of aminoalkoxyphenyl derivatives for reducing and/or controlling excessive intraocular pressure SANOFI (FR) 1991-05-21 — — US disclosed
US-4994474-A Hypotensive agents SANOFI (FR) 1991-02-19 — — US disclosed
EP-0302793-A2 Aralkylaminoalkoxyphenyl derivatives, process of preparation and compositions containing the same ELF SANOFI (FR) 1989-02-08 — — EP disclosed
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