SCHEMBL13639769

SCHEMBL13639769

CC(=O)Nc1ncc(SCCC(=O)O)s1

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 19/20 0.70
CDK2 P24941 19/20 0.70
CCNE2 O96020 17/20 0.70
CDK4 P11802 11/20 0.59
CCND1 P24385 10/20 0.59
CDK1 P06493 9/20 0.59
CCNB2 O95067 8/20 0.59
CCNB1 P14635 8/20 0.59
CCNB3 Q8WWL7 8/20 0.59
CCND2 P30279 1/20 0.54
CCND3 P30281 1/20 0.54
CDK5 Q00535 1/20 0.44
GRM4 Q14833 1/20 0.43

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
SCHEMBL2666164 0.85 CCNE1 (0.69) CCNE1CDK2CCNE2CDK4CCND1
SCHEMBL16731888 0.82 CCNE1 (0.68) CCNE1CDK2CCNE2CDK4CCND1
SCHEMBL12466 0.82 CCNE2 (0.58) CCNE1CDK2CCNE2CDK4CCND1
SCHEMBL1240028 0.78 CCNE1 (0.46) CCNE1CDK2CCNE2CDK4CCND1
SCHEMBL9096131 0.78 CCNE1 (0.61) CCNE1CDK2CCNE2CDK4CCND1
SCHEMBL16724112 0.78 CCNE1 (0.44) CCNE1CDK2CCNE2CDK4CCND1
SCHEMBL2606483 0.76 CDK2 (0.44) CCNE1CDK2CCNE2CDK4CCND1
SCHEMBL1263091 0.76 GCK (0.45) CCNE1CDK2CCNE2CDK4CCND1
SCHEMBL998883 0.76 CCNE1 (0.43) CCNE1CDK2CCNE2CDK4CCND1
SCHEMBL1000207 0.76 CCNE1 (0.43) 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
EP-1723128-B1 HETEROARYL-UREAS AND THEIR USE AS GLUCOKINASE ACTIVATORS NOVO NORDISK AS (DK) 2012-11-07 EP disclosed