SCHEMBL9696648

SCHEMBL9696648

O=C(CCCN1C(=O)c2ccccc2S1(=O)=O)OO

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 10/20 0.62
CA12 O43570 9/20 0.62
HDAC1 Q13547 2/20 0.62
HDAC2 Q92769 2/20 0.62
CA2 P00918 5/20 0.58
KMT2A Q03164 1/20 0.56
HPGD P15428 2/20 0.54
ELANE P08246 2/20 0.54
POLB P06746 1/20 0.54
GAA P10253 1/20 0.54
TSHR P16473 1/20 0.53
RAB9A P51151 1/20 0.53
ALDH1A1 P00352 1/20 0.53
MAPT P10636 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
SCHEMBL9696765 0.95 HDAC1 (0.70) CA9CA12HDAC1HDAC2CA2
SCHEMBL9697335 0.95 HDAC1 (0.70) CA9CA12HDAC1HDAC2CA2
SCHEMBL9696673 0.92 KMT2A (0.62) CA9CA12HDAC1HDAC2CA2
SCHEMBL9695737 0.88 CA9 (0.64) CA9CA12HDAC1HDAC2CA2
SCHEMBL8063075 0.83 CA9 (0.69) CA9CA12HDAC1HDAC2CA2
SCHEMBL9697341 0.83 HDAC1 (0.72) CA9CA12HDAC1HDAC2CA2
SCHEMBL9697407 0.83 HDAC1 (0.72) CA9CA12HDAC1HDAC2CA2
SCHEMBL4025828 0.81 CA9 (0.70) CA9CA12HDAC1HDAC2CA2
SCHEMBL4027171 0.81 CA9 (0.70) CA9CA12HDAC1HDAC2CA2
SCHEMBL8973563 0.80 CA9 (0.72) CA9CA12HDAC1HDAC2CA2

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