SCHEMBL9737263

SCHEMBL9737263

CN(C)S(=O)(=O)n1ccc2cnccc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 2/20 0.56
HTR6 P50406 6/20 0.39
HTT P42858 1/20 0.39
CDC7 O00311 1/20 0.37
CDK2 P24941 1/20 0.37
SLC22A12 Q96S37 1/20 0.36
MKNK2 Q9HBH9 3/20 0.36
MET P08581 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
TSHR P16473 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC8 Q9BY41 1/20 0.34

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
SCHEMBL24670231 0.81 RAPGEF4 (0.60) RAPGEF4HTR6CDC7CDK2SLC22A12
SCHEMBL29723138 0.76 HTR6 (0.56) RAPGEF4HTR6HTTSMN1; SMN2TSHR
SCHEMBL9237396 0.76 HTR6 (0.56) RAPGEF4HTR6HTTSMN1; SMN2TSHR
SCHEMBL25371051 0.74 CDC7 (0.41) RAPGEF4HTR6CDC7CDK2SMN1; SMN2
SCHEMBL31609647 0.74 CDC7 (0.41) RAPGEF4HTR6CDC7CDK2SMN1; SMN2
SCHEMBL9941023 0.74 RAPGEF4 (0.71) RAPGEF4HTR6HTTTSHRHDAC3
SCHEMBL2672867 0.73 HTR6 (0.66) RAPGEF4HTR6HTTMETTSHR
SCHEMBL15175729 0.72 RAPGEF4 (1.00) RAPGEF4HTR6HTTMETSMN1; SMN2
SCHEMBL29723148 0.71 FABP4 (0.50) HTR6HTTSMN1; SMN2KDM4EGAA
SCHEMBL16923788 0.69 HTR6 (0.35) RAPGEF4HTR6HTTSMN1; SMN2KDM4E

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-5079363-A From an alkoxypyridine and an indole derivative, antitumor and antileukemia agents SANOFI (FR) 1992-01-07 US disclosed