SCHEMBL4245444

SCHEMBL4245444

O=C(O)NCc1ccc(CNC(=O)c2cccc3cc(NS(=O)(=O)c4cc(Cl)cc(Cl)c4)ccc23)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TUBB P07437 2/20 0.49
▸ KCNA5 P22460 1/20 0.45
▸ POLA1 P09884 1/20 0.45
▸ ACLY P53396 1/20 0.45
▸ HDAC3 O15379 1/20 0.43
▸ HDAC4 P56524 1/20 0.43
▸ HDAC1 Q13547 1/20 0.43
▸ HDAC7 Q8WUI4 1/20 0.43
▸ HDAC2 Q92769 1/20 0.43
▸ HDAC10 Q969S8 1/20 0.43
▸ HDAC11 Q96DB2 1/20 0.43
▸ HDAC8 Q9BY41 1/20 0.43
▸ HDAC6 Q9UBN7 1/20 0.43
▸ HDAC9 Q9UKV0 1/20 0.43
▸ HDAC5 Q9UQL6 1/20 0.43
▸ MEN1 O00255 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ NAMPT P43490 1/20 0.42
▸ PGR P06401 1/20 0.41
▸ FBP1 P09467 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
SCHEMBL1320525 0.94 KCNA5 (0.52) TUBBKCNA5POLA1ACLYHDAC3
SCHEMBL13905620 0.93 TUBB (0.48) TUBBKCNA5POLA1ACLYHDAC3
SCHEMBL12119507 0.92 CYP2C9 (0.50) TUBBKCNA5POLA1ACLYHDAC3
SCHEMBL1110328 0.89 NAMPT (0.55) TUBBKCNA5NAMPTHTT
SCHEMBL1110102 0.89 TUBB (0.46) TUBBKCNA5POLA1ACLYHDAC3
SCHEMBL1110231 0.88 HIF1A (0.45) TUBBHDAC3HDAC4HDAC1HDAC7
SCHEMBL1110530 0.87 TUBB (0.45) TUBBKCNA5POLA1ACLYHDAC3
SCHEMBL12119338 0.86 TUBB (0.44) TUBBKCNA5POLA1ACLYHDAC3
SCHEMBL12119339 0.86 MAPT (0.48) KCNA5HDAC3HDAC4HDAC1HDAC7
SCHEMBL1110229 0.85 NAMPT (0.57) MEN1KMT2ANAMPTPOLB

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
WO-2009127723-A1 NEW ARYLSULPHONYLGLYCINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-10-22 — — WO disclosed
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