SCHEMBL9071900

SCHEMBL9071900

COc1ccccc1CCN(C(=O)Nc1ncc(SCC(=O)O)s1)C1CCC(C)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.43
CCNE2 O96020 4/20 0.40
CCNE1 P24864 4/20 0.40
CDK2 P24941 4/20 0.40
CCNB2 O95067 3/20 0.40
CDK1 P06493 3/20 0.40
CDK4 P11802 3/20 0.40
CCNB1 P14635 3/20 0.40
CCND1 P24385 3/20 0.40
CCNB3 Q8WWL7 3/20 0.40
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
GCK P35557 2/20 0.39
GAA P10253 1/20 0.39
ALDH1A1 P00352 2/20 0.38
MBTPS1 Q14703 4/20 0.38
RAB9A P51151 2/20 0.37
MAPT P10636 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CSNK2A2 P19784 1/20 0.36

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
SCHEMBL1241303 1.00 KMT2A (0.43) KMT2ACCNE2CCNE1CDK2CCNB2
SCHEMBL12828229 0.93 KMT2A (0.44) KMT2ACCNE2CCNE1CDK2CCNB2
SCHEMBL1238709 0.91 CDK2 (0.39) KMT2ACCNE2CCNE1CDK2CCNB2
SCHEMBL12204310 0.91 CDK2 (0.39) KMT2ACCNE2CCNE1CDK2CCNB2
SCHEMBL1241448 0.88 CCNE1 (0.41) CCNE2CCNE1CDK2CCNB2CDK1
SCHEMBL2668614 0.88 CCNE1 (0.41) KMT2ACCNE2CCNE1CDK2CCNB2
SCHEMBL1241353 0.88 CCNE1 (0.41) KMT2ACCNE2CCNE1CDK2CCNB2
SCHEMBL1240730 0.87 CCNE1 (0.51) CCNE2CCNE1CDK2CCNB2CDK1
SCHEMBL1240727 0.87 CCNE1 (0.51) CCNE2CCNE1CDK2CCNB2CDK1
SCHEMBL1241648 0.86 KMT2A (0.44) KMT2ACCNE2CCNE1CDK2CCNB2

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
WO-2007006814-A1 UREA GLUCOKINASE ACTIVATORS NOVO NORDISK A/S (DK) 2007-01-18 WO disclosed