SCHEMBL23403293

SCHEMBL23403293

CC(C)n1nc(C(C)(C)C)cc1O

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRN P28799 3/20 0.38
SORT1 Q99523 3/20 0.38
KDM4E B2RXH2 2/20 0.38
MAPK14 Q16539 5/20 0.33
GAA P10253 1/20 0.33
RET P07949 2/20 0.31
AURKA O14965 1/20 0.31
CSF1R P07333 1/20 0.31
LTK P29376 1/20 0.31
CSNK1A1 P48729 1/20 0.31
CDK8 P49336 1/20 0.31
CLK2 P49760 1/20 0.31
CDK5 Q00535 1/20 0.31
ACVR1 Q04771 1/20 0.31
CLK4 Q9HAZ1 1/20 0.31
CTSL P07711 1/20 0.31
PRKCZ Q05513 1/20 0.31
NTRK3 Q16288 1/20 0.30

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
SCHEMBL25212917 0.82 TGFBR1 (0.37) KDM4EGAA
SCHEMBL15069896 0.78 GRN (0.35) GRNSORT1KDM4EMAPK14GAA
SCHEMBL13487955 0.78 KDM4E (0.36) GRNSORT1KDM4EMAPK14GAA
SCHEMBL20932927 0.77 MAP3K12 (0.44) GRNSORT1KDM4EMAPK14GAA
SCHEMBL15723703 0.77 MAP3K12 (0.38) GRNSORT1KDM4EMAPK14
SCHEMBL19274376 0.77 GRN (0.41) GRNSORT1KDM4EMAPK14GAA
SCHEMBL13487525 0.76 GRN (0.40) GRNSORT1KDM4EMAPK14GAA
SCHEMBL2950904 0.76 KDM4E (0.46) GRNSORT1KDM4EMAPK14GAA
SCHEMBL15723866 0.76 GRN (0.34) GRNSORT1KDM4EMAPK14GAA
Hydrochloric Acid SCHEMBL1011658 0.74 KDM4E (0.45) GRNSORT1KDM4EMAPK14RET

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
EP-3828159-A1 STORAGE AND TRANSPORT STABILIZERS FOR POLYMERIZABLE COMPOUNDS BASF SE (DE) 2021-06-02 EP disclosed