SCHEMBL2810593

SCHEMBL2810593

O=[N+]([O-])Cc1ccc(S(=O)(=O)O)cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
MMP1 P03956 1/20 0.40
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40
MMP8 P22894 1/20 0.40
MMP13 P45452 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
ALOX15 P16050 1/20 0.39
CYP2C19 P33261 1/20 0.39
ALDH1A1 P00352 3/20 0.39
HPGD P15428 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
F2 P00734 3/20 0.37
PRSS1 P07477 3/20 0.37
PRSS2 P07478 3/20 0.37
PRSS3 P35030 3/20 0.37
CASP6 P55212 2/20 0.36

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
SCHEMBL8347649 0.79 CYP2C19 (0.43) CA1CA2CYP1A2CYP3A4CYP2D6
SCHEMBL1805851 0.79 CYP2C19 (0.43) CA1CA2CYP1A2CYP3A4CYP2D6
SCHEMBL1805854 0.79 CYP1A2 (0.43) CA1CA2CYP1A2CYP3A4CYP2D6
SCHEMBL1807567 0.77 ALDH1A1 (0.43) CA1CA2CYP1A2CYP3A4CYP2D6
SCHEMBL1807565 0.77 CYP2C19 (0.42) CA1CA2CYP1A2CYP3A4CYP2D6
SCHEMBL9244974 0.77 CYP2C19 (0.45) CA1CA2CYP1A2CYP3A4CYP2D6
SCHEMBL3864396 0.77 TSHR (0.52) CYP1A2CYP3A4CYP2D6ALOX15CYP2C19
SCHEMBL1805323 0.76 CYP2C19 (0.41) CA1CA2CYP1A2CYP3A4CYP2D6
SCHEMBL1805325 0.76 CYP2C19 (0.41) CA1CA2CYP1A2CYP3A4CYP2D6
SCHEMBL6260200 0.75 CYP1A2 (0.43) CA1CA2CYP1A2CYP3A4CYP2D6

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-2053074-B1 METHOD FOR PRODUCING ACID RADICAL-CONTAINING POLYARYLENE SULFIDE RESIN DAINIPPON INK & CHEMICALS (JP) 2015-11-18 EP disclosed
US-8426552-B2 Method for producing acid group-containing polyarylene sulfide DIC CORPORATION (JP) 2013-04-23 US disclosed
CN-101501105-B Method for producing acid radical-containing polyarylene sulfide resin DAINIPPON INK & CHEMICALS 2011-01-26 CN disclosed
US-20100240863-A1 METHOD FOR PRODUCING ACID GROUP-CONTAINING POLYARYLENE SULFIDE DIC CORPORATION (JP) 2010-09-23 US disclosed
CN-101501105-A Method for producing acid radical-containing polyarylene sulfide resin DAINIPPON INK & CHEMICALS (JP) 2009-08-05 CN disclosed
EP-2053074-A1 METHOD FOR PRODUCING ACID RADICAL-CONTAINING POLYARYLENE SULFIDE RESIN DIC Corporation (JP) 2009-04-29 EP disclosed