SCHEMBL6477872

SCHEMBL6477872

O=S(=O)(CCCNc1ccccc1)CCOS(=O)(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
MAPT P10636 3/20 0.47
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
NCOR2 Q9Y618 1/20 0.38
CA12 O43570 3/20 0.37
CA2 P00918 3/20 0.37
CA9 Q16790 3/20 0.37
L3MBTL1 Q9Y468 1/20 0.35
CA1 P00915 2/20 0.35
FABP1 P07148 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
F2 P00734 2/20 0.33
KDM4E B2RXH2 2/20 0.33
LMNA P02545 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
KCNH3 Q9ULD8 1/20 0.33
PKM P14618 1/20 0.33
SMYD3 Q9H7B4 1/20 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
SCHEMBL6478505 0.91 MAPT (0.41) ALDH1A1MAPTHDAC3HDAC1HDAC2
SCHEMBL8445072 0.87 ALDH1A1 (0.53) ALDH1A1MAPTHDAC3HDAC1HDAC2
SCHEMBL6473074 0.85 ALDH1A1 (0.38) ALDH1A1MAPTCA12CA2CA9
SCHEMBL7144517 0.84 MAPT (0.47) ALDH1A1MAPTHDAC3HDAC1HDAC2
SCHEMBL7760682 0.81 MAPT (0.53) ALDH1A1MAPTHDAC3HDAC1HDAC2
Hydrochloric Acid SCHEMBL8603722 0.80 MAPT (0.52) ALDH1A1MAPTHDAC3HDAC1HDAC2
SCHEMBL246721 0.79 ALDH1A1 (0.59) ALDH1A1MAPTHDAC3HDAC1HDAC2
SCHEMBL7756165 0.78 ALDH1A1 (0.53) ALDH1A1MAPTHDAC3HDAC1HDAC2
SCHEMBL1333377 0.77 ALDH1A1 (0.57) ALDH1A1MAPTHDAC3HDAC1HDAC2
Hydrochloric Acid SCHEMBL9412264 0.76 ALDH1A1 (0.52) ALDH1A1MAPTHDAC3HDAC1HDAC2

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
US-6949631-B2 Reactive azo dyes, method for the production and use thereof DYSTAR TEXTILFARBON GMBH & CO. DEUTSCHLAND KG (DE) 2005-09-27 US disclosed
US-20040260074-A1 Reactive azo dyes, method for the production and use thereof DYSTAR COLOURS DISTRIBUTION GMBH (DE) 2004-12-23 US disclosed