SCHEMBL9412855

SCHEMBL9412855

O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)NCc1ccccc1

nearest known ligand 0.75

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 12/20 0.75
▸ CA1 P00915 12/20 0.75
▸ CA2 P00918 12/20 0.75
▸ CA9 Q16790 12/20 0.75
▸ TDP1 Q9NUW8 5/20 0.63
▸ MEN1 O00255 1/20 0.63
▸ ABL1 P00519 1/20 0.63
▸ LMNA P02545 1/20 0.63
▸ PKM P14618 1/20 0.63
▸ IDE P14735 1/20 0.63
▸ MAPK1 P28482 1/20 0.63
▸ KMT2A Q03164 1/20 0.63
▸ RIN1 Q13671 1/20 0.63
▸ L3MBTL1 Q9Y468 1/20 0.63
▸ ITGB1 P05556 1/20 0.54
▸ ITGA4 P13612 1/20 0.54
▸ SLC6A4 P31645 1/20 0.53

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
SCHEMBL31578430 0.91 CA12 (0.74) CA12CA1CA2CA9TDP1
SCHEMBL13073503 0.89 CA12 (0.76) CA12CA1CA2CA9TDP1
SCHEMBL6372736 0.89 CA12 (0.79) CA12CA1CA2CA9TDP1
SCHEMBL12807414 0.89 CA12 (0.75) CA12CA1CA2CA9TDP1
SCHEMBL14308477 0.87 CA12 (0.72) CA12CA1CA2CA9TDP1
SCHEMBL9412854 0.86 CA12 (0.73) CA12CA1CA2CA9TDP1
SCHEMBL4829282 0.86 CA12 (0.58) CA12CA1CA2CA9TDP1
SCHEMBL14253654 0.84 CA12 (0.74) CA12CA1CA2CA9TDP1
SCHEMBL9412852 0.84 TDP1 (0.74) CA12CA1CA2CA9TDP1
SCHEMBL29782832 0.83 CA12 (0.67) CA12CA1CA2CA9TDP1

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
EP-0590563-A1 Biotin amides, a process for their preparation and therapeutical compositions containing them as the active principles for the treatment of diabetes and relative complicating diseases LIFEGROUP S.p.A. (IT) 1994-04-06 — — EP disclosed
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