SCHEMBL9071951

SCHEMBL9071951

COc1ccc(CCCCC(=O)Nc2ncc(SCC(=O)O)s2)cc1F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.50
▸ STK17B O94768 1/20 0.44
▸ GLS O94925 1/20 0.43
▸ CCNE2 O96020 2/20 0.41
▸ CCNE1 P24864 2/20 0.41
▸ CDK2 P24941 2/20 0.41
▸ CCNB2 O95067 1/20 0.41
▸ CDK1 P06493 1/20 0.41
▸ CDK4 P11802 1/20 0.41
▸ CCNB1 P14635 1/20 0.41
▸ CCND1 P24385 1/20 0.41
▸ CCNB3 Q8WWL7 1/20 0.41
▸ HDAC1 Q13547 3/20 0.41
▸ HDAC2 Q92769 3/20 0.41
▸ HDAC3 O15379 2/20 0.41
▸ HDAC4 P56524 2/20 0.41
▸ HDAC7 Q8WUI4 2/20 0.41
▸ HDAC10 Q969S8 2/20 0.41
▸ HDAC11 Q96DB2 2/20 0.41
▸ HDAC8 Q9BY41 2/20 0.41

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
SCHEMBL2669345 0.83 HDAC1 (0.47) KMT2AGLSCCNE2CCNE1CDK2
SCHEMBL2668621 0.82 GLS (0.46) KMT2AGLSCCNE2CCNE1CDK2
SCHEMBL2668616 0.79 HDAC1 (0.48) STK17BCCNE2CCNE1CDK2CCNB2
SCHEMBL9071910 0.79 CCNE1 (0.47) STK17BCCNE2CCNE1CDK2CCNB2
SCHEMBL2669487 0.79 HDAC1 (0.47) KMT2ACCNE2CCNE1CDK2CCNB2
SCHEMBL2668627 0.78 MAOB (0.46) GLSCCNE2CCNE1CDK2CCNB2
SCHEMBL1238582 0.78 STK17B (0.39) KMT2ASTK17BCCNE2CCNE1CDK2
SCHEMBL9071934 0.75 MAPK10 (0.54) CCNE2CCNE1CDK2CCNB2CDK1
SCHEMBL2668480 0.73 HDAC3 (0.49) CCNE2CCNE1CDK2CCNB2CDK1
SCHEMBL2656007 0.72 KMT2A (0.42) KMT2AGLSCCNE2CCNE1CDK2

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
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