SCHEMBL7206513

SCHEMBL7206513

O=C(O)C1=CC(S(=O)(=O)O)c2ccccc2C1=S

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 1/20 0.35
EDNRA P25101 1/20 0.35
ALDH1A1 P00352 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
HDAC3 O15379 1/20 0.30
HDAC4 P56524 1/20 0.30
HDAC7 Q8WUI4 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
HDAC9 Q9UKV0 1/20 0.30
HDAC5 Q9UQL6 1/20 0.30
NCOR2 Q9Y618 1/20 0.30

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
SCHEMBL31316342 0.87 EDNRB (0.39) EDNRBEDNRAALDH1A1L3MBTL1LMNA
SCHEMBL31316341 0.87 EDNRB (0.39) EDNRBEDNRAALDH1A1L3MBTL1LMNA
SCHEMBL9246080 0.63
SCHEMBL11590902 0.62 IDO1 (0.40) EDNRBEDNRAALDH1A1LMNAMAPT
SCHEMBL9296680 0.61 KMT2A (0.40) EDNRBEDNRAALDH1A1L3MBTL1LMNA
SCHEMBL7745983 0.61 EDNRB (0.46) EDNRBEDNRAALDH1A1L3MBTL1LMNA
SCHEMBL2319486 0.61 NCOR2 (0.42) EDNRBEDNRALMNAMAPTHDAC3
SCHEMBL29945031 0.61 NCOR2 (0.42) EDNRBEDNRALMNAMAPTHDAC3
SCHEMBL27805192 0.60 EDNRB (0.37) EDNRBEDNRAALDH1A1L3MBTL1LMNA
SCHEMBL9254888 0.59 SRD5A2 (0.38) ALDH1A1L3MBTL1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6605142-B1 Copper, nickel, or manganese carboxylate and colorant; ink jet printing AVECIA LIMITED (GB) 2003-08-12 US claimed
EP-1153093-A1 CHEMICAL COMPOSITION FOR INK Avecia Limited (GB) 2001-11-14 EP claimed
WO-2000037574-A1 CHEMICAL COMPOSITION FOR INK AVECIA LIMITED (GB) 2000-06-29 WO claimed
US-6605142-B1 Copper, nickel, or manganese carboxylate and colorant; ink jet printing AVECIA LIMITED (GB) 2003-08-12 US disclosed
EP-1153093-A1 CHEMICAL COMPOSITION FOR INK Avecia Limited (GB) 2001-11-14 EP disclosed
WO-2000037574-A1 CHEMICAL COMPOSITION FOR INK AVECIA LIMITED (GB) 2000-06-29 WO disclosed