SCHEMBL2651631

SCHEMBL2651631

O=C(Nc1ncc(S(=O)(=O)c2nnn[nH]2)s1)Nc1ccc(Cl)cc1C(=O)C1CCCC1.O=C(Nc1ncc(S(=O)(=O)c2nnn[nH]2)s1)Nc1ccccc1C(=O)C1CCCC1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 6/20 0.35
CDK2 P24941 6/20 0.35
CDK5 Q00535 6/20 0.35
GRM4 Q14833 2/20 0.34
ALDH1A1 P00352 2/20 0.33
SIRT4 Q9Y6E7 1/20 0.33
CNR1 P21554 2/20 0.33
CNR2 P34972 1/20 0.33
KMT2A Q03164 1/20 0.33
GAA P10253 1/20 0.32
FBP1 P09467 1/20 0.32
IDH2 P48735 2/20 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
SCHEMBL1341709 0.97 CCNE1 (0.33) CCNE1CDK2CDK5GRM4SIRT4
SCHEMBL1341473 0.93 CCNE1 (0.39) CCNE1CDK2CDK5ALDH1A1KMT2A
SCHEMBL1342422 0.88 CDK2 (0.34) CCNE1CDK2CDK5GAAIDH2
SCHEMBL1342238 0.87 SMN1; SMN2 (0.35) CCNE1CDK2CDK5KMT2AGAA
SCHEMBL1341866 0.85 MAPT (0.40) CCNE1CDK2CDK5ALDH1A1KMT2A
SCHEMBL1341979 0.85 RXFP1 (0.33) CCNE1CDK2CDK5KMT2AIDH2
SCHEMBL1341950 0.85 MAPT (0.34) CCNE1CDK2CDK5KMT2AGAA
SCHEMBL2651630 0.84 GRM4 (0.33) GRM4SIRT4GAA
SCHEMBL1341913 0.84 CCNE1 (0.38) CCNE1CDK2CDK5CNR1CNR2
SCHEMBL1342141 0.83 SIRT4 (0.35) CCNE1CDK2CDK5GRM4SIRT4

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