SCHEMBL3971229

SCHEMBL3971229

N#Cc1cccc2cc(B(O)O)sc12

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.47
CHRNA7 P36544 1/20 0.38
HTR3A P46098 1/20 0.38
ENPP2 Q13822 1/20 0.36
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
HTT P42858 1/20 0.33
PDE10A Q9Y233 1/20 0.32
SLC9A1 P19634 1/20 0.31
NOTUM Q6P988 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
SCHEMBL29954028 1.00 MGLL (0.47) MGLLCHRNA7HTR3AENPP2CA1
SCHEMBL31550212 0.77 MGLL (0.36) MGLLNOTUM
SCHEMBL31550082 0.75 MGLL (0.35) MGLL
SCHEMBL30638470 0.75 MGLL (0.53) MGLLCA2ALDH1A1
SCHEMBL28660108 0.75 MGLL (0.53) MGLLCA2ALDH1A1
SCHEMBL594128 0.74 MGLL (0.52) MGLLCHRNA7HTR3A
SCHEMBL19756659 0.74 TSHR (0.41) CHRNA7HTR3ACA1CA2KDM4E
SCHEMBL16016897 0.74 MGLL (0.52) MGLLCHRNA7HTR3AALDH1A1
SCHEMBL29952680 0.73 SLC9A1 (0.49) MGLLENPP2HTTSLC9A1
SCHEMBL3966668 0.73 SLC9A1 (0.49) MGLLENPP2HTTSLC9A1

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
WO-2009049028-A1 PYRROLOPYRIMIDINE COMPOUNDS AND THEIR USE AS JANUS KINASE MODULATORS TARGEGEN INC. (US) 2009-04-16 WO disclosed
WO-2009046416-A1 ANILINOPYRIMIDINES AS JAK KINASE INHIBITORS TARGEGEN INC. (US) 2009-04-09 WO disclosed
WO-2009026345-A1 THIAZOLIDINONE COMPOUNDS, AND METHODS OF MAKING AND USING SAME TARGEGEN INC. (US) 2009-02-26 WO disclosed
WO-2009026345-A1 THIAZOLIDINONE COMPOUNDS, AND METHODS OF MAKING AND USING SAME TARGEGEN INC. (US) 2009-02-26 WO disclosed