SCHEMBL2227741

SCHEMBL2227741

Cc1ccc(S(=O)(=O)OC(=O)C(C)(C)Br)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
GAA P10253 2/20 0.42
F2 P00734 2/20 0.41
PRSS1 P07477 2/20 0.41
PRSS2 P07478 2/20 0.41
PRSS3 P35030 2/20 0.41
CA1 P00915 2/20 0.40
CA2 P00918 2/20 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
CYP2D6 P10635 1/20 0.40
LMNA P02545 2/20 0.40
POLB P06746 1/20 0.40
CA12 O43570 1/20 0.39
CA3 P07451 1/20 0.39

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
SCHEMBL9982800 0.87 ALDH1A1 (0.49) ALDH1A1KMT2AMEN1GAAF2
Ammonia Solution, Strong SCHEMBL2836007 0.86 ALDH1A1 (0.47) ALDH1A1KMT2AMEN1GAAF2
SCHEMBL28887671 0.83 ALDH1A1 (0.45) ALDH1A1KMT2AMEN1GAAF2
SCHEMBL11047321 0.82 ALDH1A1 (0.47) ALDH1A1KMT2AMEN1GAAF2
SCHEMBL361916 0.82 ALDH1A1 (0.47) ALDH1A1KMT2AMEN1GAAF2
SCHEMBL5724458 0.81 ALDH1A1 (0.47) ALDH1A1KMT2AMEN1GAAF2
SCHEMBL7586365 0.80 ALDH1A1 (0.46) ALDH1A1KMT2AMEN1GAAF2
SCHEMBL10637725 0.79 ALDH1A1 (0.60) ALDH1A1KMT2AMEN1GAAF2
SCHEMBL443434 0.77 ALDH1A1 (0.53) ALDH1A1KMT2AMEN1GAAF2
SCHEMBL3836056 0.77 ALDH1A1 (0.58) ALDH1A1KMT2AMEN1GAAF2

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
WO-2011088505-A1 LOW-FOULING FILTRATION MEMBRANES FLINDERS UNIVERSITY OF SOUTH AUSTRALIA (AU) 2011-07-28 WO disclosed