SCHEMBL2650008

SCHEMBL2650008

O=C(Nc1nc(C(=O)O)c(Sc2ccccn2)s1)Nc1cnccc1C(=O)C1CCCC1.O=C(Nc1nc(C(=O)O)c(Sc2ccccn2)s1)Nc1ncccc1C(=O)C1CCCC1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 5/20 0.38
CCNE1 P24864 3/20 0.34
CDK2 P24941 3/20 0.34
CDK5 Q00535 3/20 0.34
CNR1 P21554 2/20 0.34
ALDH1A1 P00352 2/20 0.33
ADORA3 P0DMS8 1/20 0.33
RAB9A P51151 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GCK P35557 6/20 0.32
GPR6 P46095 1/20 0.32
KDM4D Q6B0I6 2/20 0.32
KDM6B O15054 1/20 0.32
CNR2 P34972 1/20 0.32
KDM4E B2RXH2 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
GSK3B P49841 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
SCHEMBL1341296 0.94 KDM4C (0.41) KDM4CCCNE1CDK2CDK5CNR1
SCHEMBL1342744 0.93 ALDH1A1 (0.37) CCNE1CDK2CDK5ALDH1A1ADORA3
SCHEMBL2650013 0.93 KDM4C (0.34) KDM4CCCNE1CDK2CDK5CNR1
SCHEMBL2650014 0.91 CNR1 (0.35) CCNE1CDK2CDK5CNR1ALDH1A1
SCHEMBL1340520 0.89 CCNE1 (0.37) KDM4CCCNE1CDK2CDK5CNR1
SCHEMBL1342558 0.88 ALDH1A1 (0.38) CCNE1CDK2CDK5CNR1ALDH1A1
SCHEMBL2650546 0.87 CCNE1 (0.33) KDM4CCCNE1CDK2CDK5CNR1
SCHEMBL1341301 0.84 ALDH1A1 (0.38) CCNE1CDK2CDK5CNR1ALDH1A1
SCHEMBL1342469 0.83 MAPT (0.38) ALDH1A1ADORA3RAB9AL3MBTL1GCK
SCHEMBL1344736 0.83 KDM4C (0.40) KDM4CCCNE1CDK2CDK5CNR1

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