SCHEMBL24533245

SCHEMBL24533245

CC(C)(C)OC(=O)NCCCn1ccnc1S(C)(=O)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 1/20 0.46
▸ CA1 P00915 11/20 0.45
▸ CA2 P00918 11/20 0.45
▸ CA12 O43570 8/20 0.45
▸ CA9 Q16790 8/20 0.45
▸ STK17B O94768 1/20 0.43
▸ STK17A Q9UEE5 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.42
▸ PDPK1 O15530 1/20 0.41
▸ CCNB2 O95067 1/20 0.41
▸ PRKCB P05771 1/20 0.41
▸ CDK1 P06493 1/20 0.41
▸ LYN P07948 1/20 0.41
▸ CCNB1 P14635 1/20 0.41
▸ CCNA2 P20248 1/20 0.41
▸ CDK2 P24941 1/20 0.41
▸ GSK3B P49841 1/20 0.41
▸ RPS6KA3 P51812 1/20 0.41
▸ CCNA1 P78396 1/20 0.41
▸ CCNB3 Q8WWL7 1/20 0.41

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
SCHEMBL29651672 0.91 CA12 (0.46) DYRK1ACA1CA2CA12CA9
SCHEMBL19027343 0.81 TLR8 (0.48) DYRK1ACA1CA2CA12CA9
SCHEMBL24533118 0.81 STK17B (0.51) DYRK1ACA1CA2CA12CA9
SCHEMBL28420219 0.81 KDM4E (0.43) DYRK1ACA1CA2CA12CA9
SCHEMBL14420521 0.81 TDP1 (0.47) DYRK1ACA1CA2CA12CA9
SCHEMBL29651697 0.80 STK17B (0.44) DYRK1ACA1CA2CA12CA9
SCHEMBL19741733 0.80 STK17B (0.44) DYRK1ACA1CA2CA12CA9
SCHEMBL5531682 0.79 TDP1 (0.48) DYRK1ACA1CA2CA12CA9
SCHEMBL14416000 0.79 STK17B (0.43) DYRK1ACA1CA2CA12CA9
SCHEMBL7056763 0.78 STK17B (0.45) DYRK1ACA1CA2CA12CA9

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
WO-2022133303-A1 COMPOUNDS AND USE THEREOF FOR TREATMENT OF NEURODEGENERATIVE, DEGENERATIVE AND METABOLIC DISORDERS THE SCRIPPS RESEARCH INSTITUTE (US) 2022-06-23 — — WO disclosed
Send feedback