SCHEMBL2033160

SCHEMBL2033160

NCc1cc2ccccc2oc1=O.O=C(O)CS(=O)(=O)Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.48
CA9 Q16790 5/20 0.48
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
MMP2 P08253 1/20 0.47
MMP9 P14780 1/20 0.47
ADAM17 P78536 1/20 0.47
MAOB P27338 7/20 0.46
CA1 P00915 2/20 0.46
CA3 P07451 1/20 0.46
TSHR P16473 1/20 0.46
CA4 P22748 1/20 0.46
CA6 P23280 1/20 0.46
CA5A P35218 1/20 0.46
CA7 P43166 1/20 0.46
GPR35 Q9HC97 1/20 0.46
CA14 Q9ULX7 1/20 0.46
CA5B Q9Y2D0 1/20 0.46
CA2 P00918 1/20 0.45
MAOA P21397 2/20 0.43

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
Acetic Acid SCHEMBL2033161 0.87 MAOB (0.50) CA12CA9KMT2AMEN1MMP2
Carbamic Acid SCHEMBL8995121 0.84 MMP2 (0.56) CA12CA9KMT2AMEN1MMP2
Acetic Acid SCHEMBL472753 0.83 MAOB (0.56) CA12CA9KMT2AMEN1MMP2
SCHEMBL94133 0.82 POLB (0.59) CA12CA9KMT2AMEN1MMP2
SCHEMBL29934196 0.82 POLB (0.59) CA12CA9KMT2AMEN1MMP2
SCHEMBL3237487 0.81 POLB (0.58) CA12CA9KMT2AMEN1MMP2
Butane SCHEMBL20446706 0.77 MAOB (0.62) CA12CA9KMT2AMEN1MMP2
SCHEMBL2403666 0.75 RAB9A (0.59) CA12CA9KMT2AMEN1MMP2
Coumarin SCHEMBL17312324 0.74 CA12 (0.61) CA12CA9MMP2MMP9ADAM17
SCHEMBL8416172 0.73 CA12 (0.59) CA12CA9KMT2AMEN1MAOB

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
US-20110135606-A1 TEST SYSTEMS FOR THE ANALYSIS OF POLYPEPTIDES AND CELLS ADHERING TO SILICONES WICK, IMMUNOLOGISCHE DIAGNOSTIK U. BERATUNG KG (AT) 2011-06-09 US disclosed