SCHEMBL13069293

SCHEMBL13069293

O=C(CS)NCCC(=O)ON1C(=O)CCC1=O

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ HDAC1 Q13547 4/20 0.33
▸ HDAC8 Q9BY41 4/20 0.33
▸ HDAC6 Q9UBN7 4/20 0.33
▸ HDAC3 O15379 3/20 0.33
▸ HDAC4 P56524 3/20 0.33
▸ HDAC7 Q8WUI4 3/20 0.33
▸ HDAC2 Q92769 3/20 0.33
▸ HDAC10 Q969S8 3/20 0.33
▸ HDAC11 Q96DB2 3/20 0.33
▸ HDAC9 Q9UKV0 3/20 0.33
▸ HDAC5 Q9UQL6 3/20 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
SCHEMBL12519066 0.84 HPGD (0.36) HPGDHTTSMN1; SMN2
SCHEMBL15426045 0.84 MEN1 (0.40) HPGDHTTSMN1; SMN2
SCHEMBL8191582 0.84 HPGD (0.36) HPGDHTTSMN1; SMN2
SCHEMBL43231 0.84 HPGD (0.36) HPGDHTTSMN1; SMN2HDAC1HDAC8
SCHEMBL18878682 0.83 CASP2 (0.41) HPGDHTTSMN1; SMN2
SCHEMBL30360564 0.83 SMN1; SMN2 (0.38) HPGDHTTSMN1; SMN2
SCHEMBL5499536 0.82 PSMB8 (0.35) HPGDHTTSMN1; SMN2
SCHEMBL18250682 0.82 SMN1; SMN2 (0.41) HPGDHTTSMN1; SMN2
SCHEMBL17750731 0.82 HPGD (0.40) HPGDHTTSMN1; SMN2
SCHEMBL16724725 0.82 HPGD (0.40) HPGDHTTSMN1; SMN2

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
EP-1907860-B1 MASS LABELS ELECTROPHORETICS LTD (GB) 2010-11-17 — — EP disclosed
WO-2007012849-A2 MASS LABELS FOR BIOMOLECULES CONTAINING A 2,6-DIMETHYL-PIPERIDIN-l-YL METHYLENE OR A PYRIMIDIN-2-YL THIOMETHYLENE MASS MARKER MOIETY AND A SUCCINIMID-OXY-CARBONYL REACTIVE FUNCTIONAL GROUP ELECTROPHORETICS LIMITED (GB) 2007-02-01 — — WO disclosed
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