SCHEMBL5768181

SCHEMBL5768181

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

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
GLA P06280 1/20 0.32
CCNE2 O96020 2/20 0.31
CCNE1 P24864 2/20 0.31
CDK2 P24941 2/20 0.31
CDK4 P11802 1/20 0.31
CCND1 P24385 1/20 0.31
HPGD P15428 1/20 0.30
PTPRC P08575 1/20 0.30
PTPN13 Q12923 1/20 0.30
MAOA P21397 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
SCHEMBL5765322 0.85 ALDH1A1 (0.42) KDM4EMAPTKMT2AMEN1GLA
SCHEMBL5766878 0.85 CCNE2 (0.42) KDM4EMAPTCCNE2CCNE1CDK2
SCHEMBL3619675 0.85 KDM4E (0.34) KDM4EMAPT
SCHEMBL5764009 0.85 KDM4E (0.34) KDM4EMAPTKMT2AMEN1CCNE2
SCHEMBL5766255 0.82 TAS1R3 (0.34) KDM4EKMT2AMEN1
SCHEMBL5766496 0.82 ALDH1A1 (0.35) KDM4EMAPTCCNE2CCNE1CDK2
SCHEMBL5765490 0.82 KDM4E (0.37) KDM4EMAPTKMT2ACCNE2CCNE1
SCHEMBL5764891 0.82 KDM4E (0.35) KDM4EMAPTCCNE2CCNE1CDK2
SCHEMBL5766199 0.81 ALDH1A1 (0.42) KDM4EMAPTKMT2AMEN1HPGD
SCHEMBL5679654 0.81 HDAC3 (0.35) 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