SCHEMBL10532020

SCHEMBL10532020

O=C(Nc1[c]cccc1)c1ccccc1S(=O)(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDX3X O00571 2/20 0.44
BCAT2 O15382 1/20 0.44
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
CA9 Q16790 2/20 0.41
KMT2A Q03164 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
LMNA P02545 1/20 0.37
MDM2 Q00987 1/20 0.37
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
MMP2 P08253 4/20 0.35
MMP9 P14780 4/20 0.35
MMP8 P22894 4/20 0.35
MMP13 P45452 4/20 0.35
MMP12 P39900 3/20 0.35
MMP14 P50281 3/20 0.35
MMP16 P51512 3/20 0.35
MMP1 P03956 2/20 0.35
MMP3 P08254 2/20 0.35

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
SCHEMBL482522 0.76 HPGD (0.57) L3MBTL1ALDH1A1MAPT
SCHEMBL4289330 0.76 FADS1 (0.50) ALDH1A1GAAMAPT
SCHEMBL4149879 0.76 MEN1 (0.59) KMT2AL3MBTL1LMNAALDH1A1GAA
SCHEMBL7439162 0.76 BCAT2 (0.73) DDX3XBCAT2KMT2ALMNAALDH1A1
SCHEMBL6805383 0.74 MMP3 (0.56) KMT2AALDH1A1GAAMMP3MAPT
SCHEMBL6110708 0.73 JAK2 (0.52) KMT2APOLB
SCHEMBL11177249 0.72 CA1 (0.49) DDX3XBCAT2CA1CA2CA9
SCHEMBL4805233 0.72 POLB (0.58) DDX3XBCAT2CA1CA2CA9
SCHEMBL27489013 0.72 CA9 (0.73) DDX3XBCAT2CA1CA2CA9
SCHEMBL429187 0.72 PTPN1 (0.48) CA1CA9KMT2APABPC1POLB

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
US-4820608-A PHOSPHONIUM MORDANTING AGENT, POLYMER WITH FREE ACID GROUPS, HETEROCYCLIC SILVER COMPLEXING AGENTS AGFA-GEVAERT, N.V. (BE) 1989-04-11 US disclosed
EP-0264496-A1 Dye diffusion transfer imaging process and image receptor used therein AGFA-GEVAERT N.V. (BE) 1988-04-27 EP disclosed
US-4028112-A MEROCYANINE DYE WITH OXAZOLE NUCLEUS FUJI PHOTO FILM CO., LTD. (JA) 1977-06-07 US disclosed