SCHEMBL5764200

SCHEMBL5764200

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

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
HTT P42858 3/20 0.36
LMNA P02545 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
TSHR P16473 1/20 0.36
KMT2A Q03164 4/20 0.35
MEN1 O00255 3/20 0.35
NPSR1 Q6W5P4 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
KDM4E B2RXH2 2/20 0.34
MAPT P10636 2/20 0.33
NPC1 O15118 1/20 0.33
HSP90AA1 P07900 1/20 0.33
NPY1R P25929 1/20 0.33
NPY2R P49146 1/20 0.33
RAB9A P51151 1/20 0.33
GLA P06280 1/20 0.31

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
SCHEMBL5766426 0.85 KDM4E (0.36) HTTKDM4EMAPTNPC1RAB9A
SCHEMBL5764891 0.84 KDM4E (0.35) ALDH1A1KDM4EMAPT
SCHEMBL5763655 0.84 PDK1 (0.45)
SCHEMBL4688651 0.84 PDK1 (0.45)
SCHEMBL3951080 0.84 PDK1 (0.45)
SCHEMBL5766819 0.83 KDM4E (0.35) ALDH1A1HTTLMNASMN1; SMN2KMT2A
SCHEMBL5679654 0.82 HDAC3 (0.35) KDM4EMAPT
SCHEMBL3624678 0.81 KDM4E (0.33) LMNAKDM4EMAPT
SCHEMBL3619675 0.81 KDM4E (0.34) KDM4EMAPT
SCHEMBL5766878 0.81 CCNE2 (0.42) ALDH1A1KDM4EMAPTNPC1RAB9A

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