SCHEMBL2668614

SCHEMBL2668614

CC1CCC(N(CCc2ccccc2Cl)C(=O)Nc2ncc(SCC(=O)O)s2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 7/20 0.41
CDK2 P24941 7/20 0.41
CCNE2 O96020 6/20 0.41
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40
CDK4 P11802 3/20 0.39
CCND1 P24385 3/20 0.39
CCNB2 O95067 3/20 0.39
CDK1 P06493 3/20 0.39
CCNB1 P14635 3/20 0.39
CCNB3 Q8WWL7 3/20 0.39
LMNA P02545 3/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
POLB P06746 1/20 0.38
GRM4 Q14833 3/20 0.37
TDP1 Q9NUW8 1/20 0.37
ALDH1A1 P00352 2/20 0.36
CFTR P13569 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
SCHEMBL1241353 1.00 CCNE1 (0.41) CCNE1CDK2CCNE2ADORA2AADORA1
SCHEMBL12828453 0.91 MEN1 (0.41) CCNE1CDK2CCNE2ADORA2AADORA1
SCHEMBL1240668 0.90 CCNE1 (0.40) CCNE1CDK2CCNE2ADORA2AADORA1
SCHEMBL1241448 0.90 CCNE1 (0.41) CCNE1CDK2CCNE2ADORA2AADORA1
SCHEMBL1240727 0.89 CCNE1 (0.51) CCNE1CDK2CCNE2ADORA2AADORA1
SCHEMBL1240730 0.89 CCNE1 (0.51) CCNE1CDK2CCNE2ADORA2AADORA1
SCHEMBL9071900 0.88 KMT2A (0.43) CCNE1CDK2CCNE2ADORA2AADORA1
SCHEMBL1241303 0.88 KMT2A (0.43) CCNE1CDK2CCNE2ADORA2AADORA1
SCHEMBL1238490 0.86 CCNE1 (0.48) CCNE1CDK2CCNE2ADORA2AADORA1
SCHEMBL2668578 0.86 CCNE1 (0.48) CCNE1CDK2CCNE2ADORA2AADORA1

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