SCHEMBL5504971

SCHEMBL5504971

NS(=O)(=O)c1ccc2c(c1)C=Cc1ccccc1S2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.44
CA2 P00918 11/20 0.42
CA1 P00915 10/20 0.42
CA9 Q16790 10/20 0.41
MAPT P10636 1/20 0.40
ALOX12 P18054 1/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CA12 O43570 7/20 0.39
CA4 P22748 3/20 0.39
CA14 Q9ULX7 3/20 0.39
CA6 P23280 3/20 0.39
CA5A P35218 3/20 0.39
CA7 P43166 3/20 0.39
CA5B Q9Y2D0 3/20 0.39
CA3 P07451 2/20 0.39
PLA2G7 Q13093 1/20 0.39
CA13 Q8N1Q1 1/20 0.39
PTGS1 P23219 2/20 0.37
PTGS2 P35354 2/20 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
SCHEMBL5505299 0.83 TSHR (0.39) LMNACA2CA1MAPTHTT
SCHEMBL4742301 0.73 TRPA1 (0.50) LMNAMAPTALOX12NPSR1PTGS1
SCHEMBL31024134 0.72 MEN1 (0.47) LMNACA2CA1CA9MAPT
SCHEMBL11744639 0.72 NOX1 (0.55) LMNACA2CA1CA9MAPT
SCHEMBL8131523 0.70 SNCA (0.53) LMNACA1CA9MAPTHTT
SCHEMBL11120857 0.69 NOX1 (0.46) MAPTALOX12PTGS1PTGS2
SCHEMBL8121328 0.69 ACHE (0.50) LMNAMAPTNPSR1PTGS1
SCHEMBL11752363 0.69 TRPA1 (0.37) CA2CA9MAPTALOX12CA12
SCHEMBL5191452 0.69 CA2 (0.41) LMNACA2CA1MAPTCA4
SCHEMBL5191816 0.68 PLEC (0.46) LMNAMAPT

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-1812420-A1 TRICYCLIC GUANIDINE DERIVATIVES AS SODIUM-PROTON EXCHANGE INHIBITORS Nicholas Piramal India Limited (IN) 2007-08-01 EP claimed
WO-2006051476-A1 TRICYCLIC GUANIDINE DERIVATIVES AS SODIUM-PROTON EXCHANGE INHIBITORS NICHOLAS PIRAMAL INDIA LIMITED (IN) 2006-05-18 WO claimed