SCHEMBL5765951

SCHEMBL5765951

CCC(C)(O)C(=O)Nc1cccc2c1C(=O)c1sccc1CS2(=O)=O

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.32
MAPT P10636 2/20 0.32
LMNA P02545 2/20 0.31
POLB P06746 1/20 0.31
HPGD P15428 1/20 0.31
CCNE2 O96020 1/20 0.30
CCNE1 P24864 1/20 0.30
CDK2 P24941 1/20 0.30

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
SCHEMBL3624678 0.91 KDM4E (0.33) KDM4EMAPTLMNAHPGDCCNE2
SCHEMBL5679654 0.90 HDAC3 (0.35) KDM4EMAPTHPGDCCNE2CCNE1
SCHEMBL5765490 0.89 KDM4E (0.37) KDM4EMAPTLMNAHPGDCCNE2
SCHEMBL5766555 0.88 HDAC1 (0.36) KDM4EMAPTHPGDCCNE2CCNE1
SCHEMBL5767116 0.88 KDM4E (0.34) KDM4EMAPTHPGDCCNE2CCNE1
SCHEMBL14371336 0.87 KDM4E (0.34) KDM4EMAPTHPGDCCNE2CCNE1
SCHEMBL3957687 0.87 KDM4E (0.34) KDM4EMAPTHPGDCCNE2CCNE1
SCHEMBL5763655 0.86 PDK1 (0.45)
SCHEMBL3951080 0.86 PDK1 (0.45)
SCHEMBL4688651 0.86 PDK1 (0.45)

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0979821-B1 TRICYCLIC COMPOUNDS KYOWA HAKKO KOGYO KK (JP) 2006-09-13 EP disclosed
US-6211227-B1 SULFUR CONTAINING TRICYCLIC COMPOUNDS KYOWA HAKKO KOGYO CO., LTD. (JP) 2001-04-03 US disclosed
EP-0979821-A1 TRICYCLIC COMPOUNDS KYOWA HAKKO KOGYO CO., LTD. (JP) 2000-02-16 EP disclosed