SCHEMBL9696673

SCHEMBL9696673

O=C(CCN1C(=O)c2ccccc2S1(=O)=O)OO

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.62
CA12 O43570 8/20 0.60
CA9 Q16790 8/20 0.60
CA2 P00918 4/20 0.58
ALDH1A1 P00352 2/20 0.58
MAPT P10636 1/20 0.58
HDAC1 Q13547 1/20 0.57
HDAC2 Q92769 1/20 0.57
MEN1 O00255 1/20 0.57
HPGD P15428 2/20 0.57
ELANE P08246 1/20 0.57
POLB P06746 1/20 0.57
GAA P10253 1/20 0.57
PKM P14618 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
TSHR P16473 1/20 0.55
RAB9A P51151 1/20 0.55

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
SCHEMBL9696648 0.92 CA9 (0.62) KMT2ACA12CA9CA2ALDH1A1
SCHEMBL9696765 0.89 HDAC1 (0.70) KMT2ACA12CA9CA2HDAC1
SCHEMBL9697335 0.89 HDAC1 (0.70) KMT2ACA12CA9CA2HDAC1
SCHEMBL9696770 0.87 ALDH1A1 (0.65) KMT2ACA12CA9CA2ALDH1A1
SCHEMBL10881572 0.82 CA12 (0.73) KMT2ACA12CA9CA2ALDH1A1
SCHEMBL9695737 0.80 CA9 (0.64) KMT2ACA12CA9CA2ALDH1A1
SCHEMBL9831972 0.79 CA12 (0.71) KMT2ACA12CA9CA2ALDH1A1
SCHEMBL7821522 0.78 CA12 (0.66) KMT2ACA12CA9CA2ALDH1A1
SCHEMBL10363863 0.78 CA9 (0.61) KMT2ACA12CA9CA2ALDH1A1
SCHEMBL9697341 0.78 HDAC1 (0.72) KMT2ACA12CA9CA2ALDH1A1

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