SCHEMBL27779751

SCHEMBL27779751

O=S(=O)(O)OCNc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.46
CA12 O43570 3/20 0.46
CA9 Q16790 2/20 0.46
FABP1 P07148 1/20 0.41
MAPT P10636 3/20 0.40
ACP1 P24666 2/20 0.40
ALDH1A1 P00352 1/20 0.40
CA1 P00915 3/20 0.38
KEAP1 Q14145 2/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
TSHR P16473 2/20 0.37
TTR P02766 1/20 0.37
FABP4 P15090 1/20 0.37
CCNA2 P20248 1/20 0.37
CDK2 P24941 1/20 0.37
MAPK14 Q16539 1/20 0.37
IL1RN P18510 1/20 0.36
ERAP1 Q9NZ08 1/20 0.36
FFAR1 O14842 1/20 0.36
HTT P42858 1/20 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
SCHEMBL7144517 0.81 MAPT (0.47) CA2CA12CA9FABP1MAPT
SCHEMBL8445072 0.78 ALDH1A1 (0.53) CA2CA12CA9FABP1MAPT
SCHEMBL27548656 0.77 CA2 (0.43) CA2CA12CA9MAPTALDH1A1
SCHEMBL6478505 0.75 MAPT (0.41) CA2CA12CA9FABP1MAPT
SCHEMBL6477872 0.73 ALDH1A1 (0.47) CA2CA12CA9FABP1MAPT
Sulfuric Acid SCHEMBL10976515 0.72 CA2 (0.50) CA2CA12CA9MAPTACP1
SCHEMBL1956114 0.72 CA2 (0.61) CA2CA12CA9MAPTACP1
SCHEMBL8768517 0.72 CA12 (0.51) CA2CA12CA9ALDH1A1CA1
SCHEMBL5106885 0.72 CA1 (0.43) CA2CA12CA9FABP1ALDH1A1
SCHEMBL11778551 0.72 ALDH1A1 (0.41) CA2CA12CA9FABP1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101795662-B UV filter capsule MERCK PATENT GMBH 2013-01-02 CN disclosed
CN-101795733-A tyrosinase inhibitors MERCK PATENT GMBH 2010-08-04 CN disclosed
CN-101795662-A UV filter capsule MERCK PATENT GMBH 2010-08-04 CN disclosed
CN-101641080-A Use of chroman-4-one derivatives MERCK PATENT GMBH DE 2010-02-03 CN disclosed
CN-101588722-A The antimicrobial compositions that comprises zinc oxide, barium sulfate and silver ion MERCK PATENT GMBH (DE) 2009-11-25 CN disclosed