SCHEMBL2668568

SCHEMBL2668568

O=C(O)CSc1cnc(NC(=O)CCCCOCc2ccc(F)cc2Cl)s1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM4 Q14833 2/20 0.40
▸ SETD1B Q9UPS6 1/20 0.38
▸ CCNB2 O95067 1/20 0.38
▸ CCNE2 O96020 1/20 0.38
▸ CDK1 P06493 1/20 0.38
▸ CDK4 P11802 1/20 0.38
▸ CCNB1 P14635 1/20 0.38
▸ CCND1 P24385 1/20 0.38
▸ CCNE1 P24864 1/20 0.38
▸ CDK2 P24941 1/20 0.38
▸ CCNB3 Q8WWL7 1/20 0.38
▸ HDAC3 O15379 1/20 0.38
▸ CCND3 P30281 1/20 0.38
▸ HDAC4 P56524 1/20 0.38
▸ CDK6 Q00534 1/20 0.38
▸ HDAC1 Q13547 1/20 0.38
▸ HDAC7 Q8WUI4 1/20 0.38
▸ HDAC2 Q92769 1/20 0.38
▸ HDAC10 Q969S8 1/20 0.38
▸ HDAC11 Q96DB2 1/20 0.38

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
SCHEMBL9071948 0.88 HDAC3 (0.39) CCNB2CCNE2CDK1CDK4CCNB1
SCHEMBL2669474 0.86 SETD1B (0.39) SETD1BHDAC3CCND3HDAC4CDK6
SCHEMBL1238491 0.79 CCNB2 (0.34) GRM4CCNB2CCNE2CDK1CDK4
SCHEMBL2669345 0.76 HDAC1 (0.47) CCNB2CCNE2CDK1CDK4CCNB1
SCHEMBL2668621 0.75 GLS (0.46) GRM4CCNB2CCNE2CDK1CDK4
SCHEMBL2669443 0.75 HDAC3 (0.38) HDAC3CCND3HDAC4CDK6HDAC1
SCHEMBL2668627 0.73 MAOB (0.46) GRM4CCNB2CCNE2CDK1CDK4
SCHEMBL2669487 0.72 HDAC1 (0.47) GRM4CCNB2CCNE2CDK1CDK4
SCHEMBL9071934 0.72 MAPK10 (0.54) CCNB2CCNE2CDK1CDK4CCNB1
SCHEMBL9071907 0.71 CCNE2 (0.35) GRM4CCNB2CCNE2CDK1CDK4

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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