SCHEMBL29953472

SCHEMBL29953472

OB(O)c1cnc(Cl)nc1Cl

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 1/20 0.33
CSNK1A1 P48729 1/20 0.31
CLK4 Q9HAZ1 1/20 0.31
JUN P05412 2/20 0.31
NFKB1 P19838 2/20 0.31
NFKB2 Q00653 2/20 0.31
RELA Q04206 2/20 0.31
TYRO3 Q06418 1/20 0.31
DYRK1B Q9Y463 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
SCHEMBL29950567 0.80 JUN (0.39) SMN1; SMN2KDM4EALDH1A1CSNK1A1CLK4
SCHEMBL15533777 0.74 KDM4E (0.31) SMN1; SMN2KDM4EALDH1A1
SCHEMBL29950852 0.73 CDC25B (0.31)
SCHEMBL29391076 0.69
SCHEMBL56192 0.69
SCHEMBL16691361 0.69
SCHEMBL19100342 0.68 KDM4E (0.32) KDM4ECSNK1A1CLK4JUNNFKB1
SCHEMBL29372810 0.67
SCHEMBL155314 0.67
SCHEMBL4689872 0.67 KDM4E (0.32) SMN1; SMN2KDM4EALDH1A1CSNK1A1CLK4

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-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed