SCHEMBL5765490

SCHEMBL5765490

CC(C)(C)C(=O)Nc1cccc2c1C(=O)c1sccc1CS2(=O)=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.37
MAPT P10636 2/20 0.37
CETP P11597 1/20 0.35
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
CCNE2 O96020 4/20 0.33
CCNE1 P24864 4/20 0.33
CDK2 P24941 4/20 0.33
CDK4 P11802 2/20 0.33
CCND1 P24385 2/20 0.33
HPGD P15428 1/20 0.32
TP53 P04637 1/20 0.31
NOTUM Q6P988 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
LMNA P02545 1/20 0.30
CA12 O43570 1/20 0.30
CA2 P00918 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
SCHEMBL5767116 0.93 KDM4E (0.34) KDM4EMAPTCCNE2CCNE1CDK2
SCHEMBL5766555 0.93 HDAC1 (0.36) KDM4EMAPTHDAC3HDAC1HDAC2
SCHEMBL5679654 0.93 HDAC3 (0.35) KDM4EMAPTHDAC3HDAC1HDAC2
SCHEMBL14371336 0.92 KDM4E (0.34) KDM4EMAPTCCNE2CCNE1CDK2
SCHEMBL3957687 0.92 KDM4E (0.34) KDM4EMAPTCCNE2CCNE1CDK2
SCHEMBL5766426 0.89 KDM4E (0.36) KDM4EMAPTCCNE2CCNE1CDK2
SCHEMBL3951080 0.89 PDK1 (0.45)
SCHEMBL4688651 0.89 PDK1 (0.45)
SCHEMBL5763655 0.89 PDK1 (0.45)
SCHEMBL5765951 0.89 KDM4E (0.32) KDM4EMAPTCCNE2CCNE1CDK2

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