SCHEMBL8516959

SCHEMBL8516959

CNc1ccc(C(=O)NCCS(=O)(=O)CCO)cc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 3/20 0.51
HDAC1 Q13547 3/20 0.51
HDAC2 Q92769 2/20 0.51
CA2 P00918 2/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
POLB P06746 2/20 0.42
KDM4E B2RXH2 2/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MMP13 P45452 1/20 0.41
ALDH1A1 P00352 3/20 0.41
LMNA P02545 1/20 0.40
NFKB1 P19838 1/20 0.39
KCNH2 Q12809 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL9778341 0.87 HDAC3 (0.50) HDAC3HDAC1HDAC2CA2POLB
SCHEMBL8517331 0.86 HDAC3 (0.44) HDAC3HDAC1CA2CA12CA1
SCHEMBL15044687 0.85 MMP13 (0.57) POLBKMT2ASMN1; SMN2MMP13ALDH1A1
SCHEMBL24051577 0.83 HDAC3 (0.58) HDAC3HDAC1HDAC2CA2POLB
SCHEMBL14075729 0.82 HDAC3 (0.60) HDAC3HDAC1HDAC2CA2CA12
SCHEMBL8516912 0.82 LMNA (0.50) HDAC3HDAC1HDAC2CA2CA12
SCHEMBL9317042 0.78 HDAC3 (0.50) HDAC3HDAC1HDAC2POLBKDM4E
SCHEMBL6975868 0.76 HDAC3 (0.60) HDAC3HDAC1HDAC2POLBKDM4E
SCHEMBL25667930 0.76 HDAC1 (0.60) HDAC3HDAC1HDAC2POLBSMN1; SMN2
SCHEMBL15044749 0.74 NPC1 (0.57) CA2CA1POLBKDM4EKMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0586331-B1 Process for dyeing synthetic polyamid fibre materials CIBA GEIGY AG (CH) 1999-01-07 EP disclosed
US-5356440-A Fiber-reactive dyes containing only one sulfo group CIBA-GEIGY CORPORATION (US) 1994-10-18 US disclosed
EP-0586331-A2 Process for dyeing synthetic polyamid fibre materials CIBA-GEIGY AG (CH) 1994-03-09 EP disclosed