SCHEMBL2652857

SCHEMBL2652857

O=C(Nc1ncc(S(=O)(=O)c2ccccn2)s1)Nc1cccnc1C(=O)C1CCCC1.O=C(Nc1ncc(S(=O)(=O)c2ccccn2)s1)Nc1ncccc1C(=O)C1CCCC1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 7/20 0.39
CDK2 P24941 7/20 0.39
CDK5 Q00535 7/20 0.39
FFAR2 O15552 1/20 0.35
CNR1 P21554 3/20 0.34
CNR2 P34972 3/20 0.34
GRM4 Q14833 3/20 0.34
KDM4E B2RXH2 1/20 0.33
POLB P06746 1/20 0.33
CRHBP P24387 2/20 0.33
CRHR2 Q13324 2/20 0.33
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL1341920 0.93 CCNE1 (0.43) CCNE1CDK2CDK5FFAR2CNR1
SCHEMBL1339808 0.93 CCNE1 (0.38) CCNE1CDK2CDK5FFAR2GRM4
SCHEMBL2652852 0.90 CCNE1 (0.38) CCNE1CDK2CDK5FFAR2CNR1
SCHEMBL1340794 0.90 CCNE1 (0.42) CCNE1CDK2CDK5FFAR2GRM4
SCHEMBL1341918 0.84 CCNE1 (0.42) CCNE1CDK2CDK5FFAR2CNR1
SCHEMBL1342533 0.83 CCNE1 (0.41) CCNE1CDK2CDK5FFAR2CNR1
SCHEMBL1341887 0.83 CCNE1 (0.36) CCNE1CDK2CDK5FFAR2GRM4
SCHEMBL1342501 0.82 FFAR2 (0.40) CCNE1CDK2CDK5FFAR2GRM4
SCHEMBL1343341 0.81 GRM4 (0.42) CCNE1CDK2CDK5FFAR2CNR1
SCHEMBL1342748 0.81 CCNE1 (0.46) CCNE1CDK2CDK5FFAR2CNR1

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