SCHEMBL3461870

SCHEMBL3461870

CS(=O)(=O)C(O)CCN(c1ccc(NC(=O)Nc2ccccc2)cc1)S(=O)(=O)c1cccc(-c2ccc(F)cc2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.44
ALDH1A1 P00352 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
CETP P11597 3/20 0.42
ITGB1 P05556 1/20 0.42
ITGA2 P17301 1/20 0.42
MAPT P10636 4/20 0.41
AURKB Q96GD4 1/20 0.41
SIRT2 Q8IXJ6 1/20 0.40
MCHR1 Q99705 1/20 0.40
IDH2 P48735 1/20 0.40
TP53 P04637 1/20 0.39
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 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
SCHEMBL3461014 0.86 CNR1 (0.50) CNR1ALDH1A1NPSR1CA12CA1
SCHEMBL3460910 0.84 CNR1 (0.47) CNR1ALDH1A1NPSR1CA12CA1
SCHEMBL3459990 0.84 ALDH1A1 (0.48) CNR1ALDH1A1NPSR1CA12CA1
SCHEMBL3461493 0.83 MAPT (0.44) CNR1ALDH1A1NPSR1CA12CA1
SCHEMBL3462135 0.83 ALDH1A1 (0.47) CNR1ALDH1A1NPSR1CA12CA1
SCHEMBL3461544 0.81 ITGB1 (0.60) CNR1ALDH1A1CA12CA1CA2
SCHEMBL3460857 0.79 HCRTR2 (0.48) CNR1ALDH1A1NPSR1CA12CA1
SCHEMBL3461216 0.79 MGLL (0.47) CNR1ALDH1A1NPSR1CA12CA1
SCHEMBL3461746 0.75 ALDH1A1 (0.44) CNR1ALDH1A1NPSR1CA12CA1
SCHEMBL7807791 0.73 CNR1 (0.54) CNR1CA12CA1CA2CA9

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-2010146236-A1 UREA SUBSTITUTED SULPHONAMIDE DERIVATIVES BIOTIE THERAPIES CORP. (FI) 2010-12-23 WO disclosed