SCHEMBL5765322

SCHEMBL5765322

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

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
POLB P06746 2/20 0.34
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MAPT P10636 2/20 0.34
KDM4E B2RXH2 2/20 0.32
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
SCHEMBL5768181 0.85 KDM4E (0.33) MEN1KMT2AMAPTKDM4EGLA
SCHEMBL5765490 0.84 KDM4E (0.37) KMT2ALMNAMAPTKDM4E
SCHEMBL5679654 0.83 HDAC3 (0.35) MAPTKDM4E
SCHEMBL5766555 0.83 HDAC1 (0.36) MAPTKDM4E
SCHEMBL5767116 0.83 KDM4E (0.34) MAPTKDM4E
SCHEMBL5766878 0.82 CCNE2 (0.42) ALDH1A1MAPTKDM4E
SCHEMBL14371336 0.82 KDM4E (0.34) MAPTKDM4E
SCHEMBL3957687 0.82 KDM4E (0.34) ALDH1A1MAPTKDM4E
SCHEMBL3619675 0.80 KDM4E (0.34) MAPTKDM4E
SCHEMBL5766426 0.80 KDM4E (0.36) MAPTKDM4E

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