SCHEMBL5766426

SCHEMBL5766426

O=C1c2sccc2CS(=O)(=O)c2cccc(NC(=O)C(F)(F)F)c21

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.36
MAPT P10636 2/20 0.34
JAK2 O60674 1/20 0.34
TP53 P04637 1/20 0.34
HTT P42858 1/20 0.34
KLK7 P49862 1/20 0.34
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
PARP14 Q460N5 1/20 0.31
NOTUM Q6P988 1/20 0.31
SLC40A1 Q9NP59 1/20 0.31
CCNE2 O96020 2/20 0.31
CCNE1 P24864 2/20 0.31
CDK2 P24941 2/20 0.31
CA12 O43570 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 1/20 0.30
CDK4 P11802 1/20 0.30
CCND1 P24385 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
SCHEMBL5765490 0.89 KDM4E (0.37) KDM4EMAPTTP53NPC1RAB9A
SCHEMBL5763655 0.89 PDK1 (0.45)
SCHEMBL3951080 0.89 PDK1 (0.45)
SCHEMBL4688651 0.89 PDK1 (0.45)
SCHEMBL5767116 0.88 KDM4E (0.34) KDM4EMAPTNOTUMCCNE2CCNE1
SCHEMBL5679654 0.88 HDAC3 (0.35) KDM4EMAPTNOTUMCCNE2CCNE1
SCHEMBL5766555 0.88 HDAC1 (0.36) KDM4EMAPTNOTUMCCNE2CCNE1
SCHEMBL14371336 0.87 KDM4E (0.34) KDM4EMAPTNOTUMCCNE2CCNE1
SCHEMBL3957687 0.87 KDM4E (0.34) KDM4EMAPTNOTUMCCNE2CCNE1
SCHEMBL3619675 0.85 KDM4E (0.34) KDM4EMAPT

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