SCHEMBL5762219

SCHEMBL5762219

CN(CCO)C(=O)Nc1cccc2c1C(=O)c1sccc1CS2(=O)=O

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.36
TERT O14746 4/20 0.35
KDM4E B2RXH2 2/20 0.32
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
ABCC1 P33527 1/20 0.31
PDCD1 Q15116 1/20 0.30
CD274 Q9NZQ7 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
SCHEMBL5766496 0.88 ALDH1A1 (0.35) MAPTTERTKDM4EHDAC3HDAC1
SCHEMBL5764891 0.84 KDM4E (0.35) MAPTTERTKDM4E
SCHEMBL5766878 0.82 CCNE2 (0.42) MAPTKDM4E
SCHEMBL5766199 0.81 ALDH1A1 (0.42) MAPTKDM4EHDAC3HDAC1HDAC2
SCHEMBL5766819 0.81 KDM4E (0.35) MAPTTERTKDM4E
SCHEMBL5765490 0.80 KDM4E (0.37) MAPTKDM4EHDAC3HDAC1HDAC2
SCHEMBL5679654 0.79 HDAC3 (0.35) MAPTKDM4EHDAC3HDAC1HDAC2
SCHEMBL5766555 0.79 HDAC1 (0.36) MAPTKDM4EHDAC3HDAC1HDAC2
SCHEMBL5767116 0.79 KDM4E (0.34) MAPTKDM4E
SCHEMBL3624678 0.78 KDM4E (0.33) MAPTTERTKDM4E

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