SCHEMBL7911330

SCHEMBL7911330

CC(C)Oc1ccc(S(N)(=O)=O)cc1C(=O)CBr

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.46
POLB P06746 1/20 0.41
CA2 P00918 8/20 0.41
IRAK4 Q9NWZ3 1/20 0.40
IDO1 P14902 1/20 0.39
TDO2 P48775 1/20 0.39
CA4 P22748 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
SLC6A9 P48067 1/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA9 Q16790 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
SCHEMBL7914152 0.86 GAA (0.46) GAAPOLBCA2IRAK4IDO1
SCHEMBL7911338 0.85 GAA (0.63) GAACA2MEN1KMT2ACA12
SCHEMBL7914188 0.84 GAA (0.48) GAAPOLBCA2IRAK4MEN1
SCHEMBL3049895 0.77 ALDH1A1 (0.44) GAAIRAK4IDO1TDO2KMT2A
SCHEMBL11186594 0.77 POLB (0.44) GAAPOLBCA2MEN1KMT2A
SCHEMBL10753387 0.76 GAA (0.52) GAAPOLBCA2CA4MEN1
SCHEMBL7913915 0.74 GAA (0.47) GAACA2CA4MEN1KMT2A
SCHEMBL11192298 0.74 CA2 (0.48) GAAPOLBCA2CA4MEN1
SCHEMBL7911325 0.74 CA2 (0.46) GAACA2CA4MEN1KMT2A
SCHEMBL2828915 0.73 S1PR3 (0.48) POLBIRAK4SLC6A9

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-6214882-B1 Benzenesulphonamide derivatives, preparation thereof and therapeutical uses thereof SYNTHELABO (FR) 2001-04-10 US disclosed