SCHEMBL4609359

SCHEMBL4609359

CCc1c(S(N)(=O)=O)ccc(OC)c1OC

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.43
KDM4E B2RXH2 1/20 0.43
CA2 P00918 8/20 0.42
CA12 O43570 7/20 0.42
CA1 P00915 7/20 0.42
CA9 Q16790 7/20 0.42
CA14 Q9ULX7 2/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CA4 P22748 2/20 0.38
CA7 P43166 1/20 0.38
POLB P06746 1/20 0.37
BRD4 O60885 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
SCHEMBL4204762 0.86 PKM (0.47) PKMKDM4ECA2CA12CA1
SCHEMBL9858695 0.84 ALOX5 (0.43) PKMKDM4ECA2CA12CA1
SCHEMBL18261777 0.83 PKM (0.36) PKMKDM4ECA2CA12CA1
SCHEMBL4454750 0.82 PTGS2 (0.36) PKMCA2CA12CA1CA9
SCHEMBL4608472 0.81 PKM (0.46) PKMKDM4ECA2CA12CA1
SCHEMBL4207227 0.80 CA2 (0.49) PKMKDM4ECA2CA12CA1
SCHEMBL4609865 0.80 PKM (0.43) PKMCA2CA12CA1CA9
Hydrochloric Acid SCHEMBL4609743 0.79 PKM (0.45) PKMKDM4ECA2CA12CA1
SCHEMBL3705401 0.78 CA2 (0.47) PKMCA2CA12CA1CA9
SCHEMBL28301192 0.76 MAPT (0.50) PKMKDM4ECA2CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1976498-A2 CHEMICAL COMPOUNDS SmithKline Beecham Corporation (US) 2008-10-08 EP disclosed
WO-2007127505-A2 USE OF SULFONAMIDE DERIVATIVES IN THE TREATMENT OF DISORDERS OF THE METABOLISM AND THE NERVOUS SYSTEM SMITHKLINE BEECHAM CORPORATION (US) 2007-11-08 WO disclosed