SCHEMBL3373422

SCHEMBL3373422

Nc1cccc2c(S(=O)(=O)O)cccc12.Nc1cccc2cc(S(=O)(=O)O)ccc12

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.71
HSD17B10 Q99714 5/20 0.53
ALDH1A1 P00352 4/20 0.53
CYP2C9 P11712 3/20 0.53
CYP2C19 P33261 3/20 0.53
CASP6 P55212 3/20 0.53
ATIC P31939 2/20 0.48
CYP1A2 P05177 2/20 0.45
HIF1A Q16665 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
MEN1 O00255 1/20 0.45
THRB P10828 1/20 0.45
KMT2A Q03164 1/20 0.45
SENP3 Q9H4L4 3/20 0.45
SENP2 Q9HC62 3/20 0.45
SENP1 Q9P0U3 3/20 0.45
SUMO2 P61956 1/20 0.45
SUMO1 P63165 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
TSHR P16473 2/20 0.44

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
SCHEMBL10703360 0.96 TTR (0.65) TTRHSD17B10ALDH1A1CYP2C9CYP2C19
SCHEMBL29941351 0.91 ALDH1A1 (0.62) TTRHSD17B10ALDH1A1CYP2C9CYP2C19
SCHEMBL157169 0.91 ALDH1A1 (0.62) TTRHSD17B10ALDH1A1CYP2C9CYP2C19
SCHEMBL29518641 0.91 ALDH1A1 (0.62) TTRHSD17B10ALDH1A1CYP2C9CYP2C19
SCHEMBL28471751 0.89 ALDH1A1 (0.60) TTRHSD17B10ALDH1A1CYP2C9CYP2C19
Water SCHEMBL7704455 0.89 ALDH1A1 (0.60) TTRHSD17B10ALDH1A1CYP2C9CYP2C19
SCHEMBL3246907 0.89 ALDH1A1 (0.60) TTRHSD17B10ALDH1A1CYP2C9CYP2C19
SCHEMBL9311654 0.85 HSD17B10 (0.69) TTRHSD17B10ALDH1A1CYP2C9CYP2C19
SCHEMBL429785 0.84 CASP6 (0.58) TTRHSD17B10ALDH1A1CYP2C9CYP2C19
SCHEMBL31255683 0.84 CASP6 (0.58) TTRHSD17B10ALDH1A1CYP2C9CYP2C19

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
EP-1756230-B1 METHOD FOR PRODUCING A LIQUID FORMULATION OF SALTS OF SULPHONIC-ACID AZO DYES BASF SE (DE) 2010-11-03 EP disclosed
EP-1756230-A1 METHOD FOR PRODUCING A LIQUID FORMULATION OF SALTS OF SULPHONIC-ACID AZO DYES BASF AKTIENGESELLSCHAFT (DE) 2007-02-28 EP disclosed
EP-1567598-B1 METHOD FOR PRODUCING A LIQUID FORMULATION OF SALTS OF SULFOACIDIC AZO DYES BASF AG (DE) 2006-11-15 EP disclosed
WO-2005113681-A1 METHOD FOR PRODUCING A LIQUID FORMULATION OF SALTS OF SULPHONIC-ACID AZO DYES BASF AKTIENGESELLSCHAFT (DE) 2005-12-01 WO disclosed
EP-1567598-A1 METHOD FOR PRODUCING A LIQUID FORMULATION OF SALTS OF SULFOACIDIC AZO DYES BASF AKTIENGESELLSCHAFT (DE) 2005-08-31 EP disclosed
WO-2004048478-A1 METHOD FOR PRODUCING A LIQUID FORMULATION OF SALTS OF SULFOACIDIC AZO DYES BASF AKTIENGESELLSCHAFT (DE) 2004-06-10 WO disclosed