SCHEMBL28813232

SCHEMBL28813232

COc1cc(S(=O)(=O)O)cc(Cl)c1N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.44
CA2 P00918 5/20 0.44
CA9 Q16790 4/20 0.44
TSHR P16473 2/20 0.41
MCOLN3 Q8TDD5 1/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
POLB P06746 2/20 0.41
APEX1 P27695 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ALDH1A1 P00352 2/20 0.40
MAPT P10636 1/20 0.40
GAA P10253 2/20 0.39
NPC1 O15118 1/20 0.39
MAPK1 P28482 1/20 0.38
MMP1 P03956 1/20 0.37
MMP2 P08253 1/20 0.37
MMP9 P14780 1/20 0.37
MMP8 P22894 1/20 0.37
MMP13 P45452 1/20 0.37
CYP2C9 P11712 1/20 0.37

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
SCHEMBL2865112 0.81 CA1 (0.64) CA1CA2CA9TSHRL3MBTL1
SCHEMBL10918317 0.81 CYP1A2 (0.40) CA1CA2TSHRL3MBTL1POLB
SCHEMBL11812767 0.79 MAPT (0.46) CA1CA2CA9TSHRMCOLN3
Hydrochloric Acid SCHEMBL7948500 0.79 CA1 (0.61) CA1CA2CA9TSHRL3MBTL1
SCHEMBL7822495 0.77 CA2 (0.48) CA1CA2CA9TSHRL3MBTL1
SCHEMBL11344310 0.76 NT5E (0.41) CA1CA2CA9TSHRL3MBTL1
SCHEMBL11856695 0.76 ALDH1A1 (0.46) ALDH1A1GAA
SCHEMBL7516755 0.76 TDP1 (0.57) CA1CA2CA9TSHRL3MBTL1
SCHEMBL18700933 0.75 TSHR (0.62) TSHRMCOLN3L3MBTL1POLBALDH1A1
SCHEMBL18700930 0.75 ALDH1A1 (0.54) TSHRPOLBALDH1A1MAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104105988-A Dye-based polarizing element and polarizing plate NIPPON KAYAKU KK 2014-10-15 CN disclosed