SCHEMBL2649953

SCHEMBL2649953

CSc1sc(NC(=O)Nc2ccncc2C(=O)C2CCCC2)nc1C(=O)O.CSc1sc(NC(=O)Nc2cnccc2C(=O)C2CCCC2)nc1C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 3/20 0.37
CDK2 P24941 3/20 0.37
CDK5 Q00535 3/20 0.37
KDM4C Q9H3R0 10/20 0.36
ABL1 P00519 1/20 0.33
KDM4D Q6B0I6 3/20 0.32
KDM6B O15054 2/20 0.32
MAPT P10636 1/20 0.32
GSK3B P49841 1/20 0.32
GAA P10253 1/20 0.32
EGLN3 Q9H6Z9 1/20 0.31
FABP4 P15090 1/20 0.31
FABP5 Q01469 1/20 0.31
CNR1 P21554 2/20 0.31
CNR2 P34972 1/20 0.31
GPR6 P46095 1/20 0.31
KDM5A P29375 1/20 0.31
KDM5B Q9UGL1 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
SCHEMBL1341881 0.97 CCNE1 (0.39) CCNE1CDK2CDK5KDM4CABL1
SCHEMBL1341634 0.96 CCNE1 (0.39) CCNE1CDK2CDK5KDM4CABL1
SCHEMBL2649962 0.91 CCNE1 (0.36) CCNE1CDK2CDK5KDM4CABL1
SCHEMBL1342197 0.86 ALDH1A1 (0.40) CCNE1CDK2CDK5MAPT
SCHEMBL1343840 0.84 CCNE1 (0.37) CCNE1CDK2CDK5KDM4CABL1
SCHEMBL1342360 0.83 CCNE1 (0.39) CCNE1CDK2CDK5KDM4CABL1
SCHEMBL1340218 0.83 CDK5 (0.39) CCNE1CDK2CDK5KDM4CABL1
SCHEMBL1339883 0.83 CCNE1 (0.38) CCNE1CDK2CDK5KDM4CABL1
SCHEMBL1340520 0.83 CCNE1 (0.37) CCNE1CDK2CDK5KDM4CMAPT
SCHEMBL1340571 0.83 ABCC1 (0.39) MAPTGAA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1531815-A1 GLUCOKINASE ACTIVATORS NOVO NORDISK A/S (DK) 2005-05-25 EP disclosed
WO-2004002481-A1 ARYL CARBONYL DERIVATIVES AS THERAPEUTIC AGENTS NOVO NORDISK A/S (DK) 2004-01-08 WO disclosed