SCHEMBL13639771

SCHEMBL13639771

O=C(CC1CCCCC1)Nc1ncc(SCCN2CCCC2)s1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNE2 O96020 7/20 0.57
CCNE1 P24864 7/20 0.57
CDK2 P24941 7/20 0.57
SMN1; SMN2 Q16637 3/20 0.55
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
GAA P10253 1/20 0.55
EPHX2 P34913 1/20 0.46
CCNB2 O95067 1/20 0.45
CDK1 P06493 1/20 0.45
CDK4 P11802 1/20 0.45
CCNB1 P14635 1/20 0.45
CCND1 P24385 1/20 0.45
CCNB3 Q8WWL7 1/20 0.45
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.42
ALPL P05186 1/20 0.42
POLB P06746 1/20 0.42

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
SCHEMBL999780 0.82 CCNE2 (0.41) CCNE2CCNE1CDK2SMN1; SMN2CCNB2
SCHEMBL999573 0.82 CCNE2 (0.41) CCNE2CCNE1CDK2SMN1; SMN2CCNB2
SCHEMBL1000315 0.82 CCNE2 (0.41) CCNE2CCNE1CDK2SMN1; SMN2CCNB2
SCHEMBL9072844 0.81 CCNE1 (0.62) CCNE2CCNE1CDK2SMN1; SMN2NPC1
SCHEMBL999845 0.77 CCNE2 (0.39) CCNE2CCNE1CDK2SMN1; SMN2CCNB2
SCHEMBL999844 0.77 CCNE2 (0.39) CCNE2CCNE1CDK2SMN1; SMN2CCNB2
SCHEMBL998399 0.77 CCNE2 (0.39) CCNE2CCNE1CDK2SMN1; SMN2CCNB2
SCHEMBL1000757 0.77 CCNE2 (0.39) CCNE2CCNE1CDK2SMN1; SMN2CCNB2
SCHEMBL998401 0.77 CCNE2 (0.39) CCNE2CCNE1CDK2SMN1; SMN2CCNB2
SCHEMBL1000756 0.77 CCNE2 (0.39) CCNE2CCNE1CDK2SMN1; SMN2CCNB2

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