SCHEMBL9696765

SCHEMBL9696765

O=C(CCCCCN1C(=O)c2ccccc2S1(=O)=O)OO

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.70
HDAC2 Q92769 3/20 0.70
CA9 Q16790 8/20 0.61
CA12 O43570 7/20 0.61
CA2 P00918 4/20 0.55
ACHE P22303 2/20 0.55
KMT2A Q03164 1/20 0.54
HTR1A P08908 4/20 0.54
DRD2 P14416 4/20 0.54
HTR2A P28223 4/20 0.54
HTR7 P34969 4/20 0.54
HTR6 P50406 4/20 0.54
HPGD P15428 1/20 0.52

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
SCHEMBL9697335 1.00 HDAC1 (0.70) HDAC1HDAC2CA9CA12CA2
SCHEMBL9696648 0.95 CA9 (0.62) HDAC1HDAC2CA9CA12CA2
SCHEMBL9696673 0.89 KMT2A (0.62) HDAC1HDAC2CA9CA12CA2
SCHEMBL9697341 0.89 HDAC1 (0.72) HDAC1HDAC2CA9CA12CA2
SCHEMBL9697407 0.89 HDAC1 (0.72) HDAC1HDAC2CA9CA12CA2
SCHEMBL4027171 0.86 CA9 (0.70) HDAC1HDAC2CA9CA12CA2
SCHEMBL4025828 0.86 CA9 (0.70) HDAC1HDAC2CA9CA12CA2
SCHEMBL3945930 0.85 HDAC1 (0.74) HDAC1HDAC2CA9CA12CA2
SCHEMBL3941396 0.85 HDAC1 (0.74) HDAC1HDAC2CA9CA12CA2
SCHEMBL9695737 0.83 CA9 (0.64) HDAC1HDAC2CA9CA12CA2

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-0485927-A1 Sulfimidoperoxycarboxylic acids HOECHST AKTIENGESELLSCHAFT (DE) 1992-05-20 EP disclosed