SCHEMBL22015494

SCHEMBL22015494

CC(=O)Cc1ncc(C)o1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 11/20 0.44
CDK2 P24941 11/20 0.44
CCNE2 O96020 1/20 0.44
CDK4 P11802 1/20 0.44
CCND1 P24385 1/20 0.44
FAAH O00519 1/20 0.35
NAMPT P43490 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
GSK3B P49841 7/20 0.33
PIK3CG P48736 1/20 0.33
MTNR1A P48039 1/20 0.33
PDE10A Q9Y233 1/20 0.32
MTNR1B P49286 1/20 0.31
RXRA P19793 1/20 0.31
RXRB P28702 1/20 0.31
RXRG P48443 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
SCHEMBL22723848 0.82 CCNE1 (0.40) CCNE1CDK2CCNE2CDK4CCND1
Potassium Ion SCHEMBL22711543 0.81 CCNE1 (0.40) CCNE1CDK2CCNE2CDK4CCND1
SCHEMBL24666925 0.80 CCNE2 (0.38) CCNE1CDK2CCNE2CDK4CCND1
SCHEMBL23331071 0.79 CCNE1 (0.42) CCNE1CDK2CCNE2CDK4CCND1
SCHEMBL24689836 0.78 CCNE1 (0.41) CCNE1CDK2CCNE2CDK4CCND1
Acetic Acid SCHEMBL31591118 0.76 CCNE2 (0.42) CCNE1CDK2CCNE2CDK4CCND1
SCHEMBL4664042 0.76 CCNE2 (0.48) CCNE1CDK2CCNE2CDK4CCND1
SCHEMBL24848501 0.75 VHL (0.48) CCNE1CDK2CCNE2CDK4CCND1
SCHEMBL5191269 0.74
SCHEMBL22144518 0.73 CCNE2 (0.36) CCNE1CDK2CCNE2CDK4CCND1

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-2020099404-A1 HERBICIDAL COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2020-05-22 WO disclosed