SCHEMBL28801470

SCHEMBL28801470

C[N+](C)(C)c1nccn1S(N)(=O)=O

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
POLB P06746 1/20 0.31

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
SCHEMBL28175124 0.74 POLB (0.45) CA12CA1CA2CA9POLB
SCHEMBL288348 0.67 CA2 (0.39) CA12CA1CA2CA9
SCHEMBL28776625 0.66 KMT2A (0.33) POLB
SCHEMBL1955893 0.63 CA1 (0.42) CA12CA1CA2CA9POLB
SCHEMBL31605937 0.63 NUDT1 (0.33)
SCHEMBL27262616 0.61
SCHEMBL28193727 0.61 PDPK1 (0.34)
SCHEMBL8148844 0.60 RECQL (0.46) CA12CA1CA2CA9POLB
SCHEMBL15041407 0.58 RECQL (0.45) CA12CA1CA2CA9POLB
SCHEMBL27703414 0.58 CA12 (0.31) CA12CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102762575-B polycyclic compounds and methods of use thereof SUNOVION PHARMACEUTICALS INC 2015-04-15 CN disclosed
CN-104507928-A Heterocyclic modulators of lipid synthesis 3 V BIOSCIENCES INC 2015-04-08 CN disclosed
CN-104193761-A MULTICYCLIC COMPOUNDS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC 2014-12-10 CN disclosed
CN-102762575-A Polycyclic compounds and methods of use thereof SUNOVION PHARMACEUTICALS INC 2012-10-31 CN disclosed