SCHEMBL6427951

SCHEMBL6427951

CC1Oc2ccc(C(CCCN(C)C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)cc2NC1=S

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.33
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
RCE1 Q9Y256 1/20 0.32
MAPT P10636 2/20 0.32
PLA2G1B P04054 1/20 0.32
HPGD P15428 1/20 0.32
XBP1 P17861 1/20 0.32
HTT P42858 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
ATG4B Q9Y4P1 1/20 0.32
GPR88 Q9GZN0 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
SCHEMBL6302926 0.91 PARP1 (0.36) CTSKKDM4EALDH1A1RCE1MAPT
SCHEMBL6304809 0.86 MAPT (0.39) KDM4EALDH1A1RCE1MAPTPLA2G1B
SCHEMBL5464875 0.82 MAPT (0.34) KDM4EALDH1A1RCE1MAPTPLA2G1B
SCHEMBL5473212 0.82 MAPT (0.40) KDM4EALDH1A1RCE1MAPTNPSR1
SCHEMBL5467225 0.81 MAPT (0.39) KDM4EALDH1A1RCE1MAPTNPSR1
SCHEMBL7092669 0.81 CTSS (0.34) CTSKKDM4EALDH1A1RCE1MAPT
SCHEMBL7704943 0.80 ALDH1A1 (0.43) CTSKALDH1A1MAPTHPGDXBP1
SCHEMBL5472786 0.80 MAPT (0.41) CTSKKDM4EALDH1A1RCE1MAPT
SCHEMBL5465748 0.80 DRD2 (0.37) KDM4EMAPTNPSR1
SCHEMBL7095640 0.79 ALDH1A1 (0.37) KDM4EALDH1A1RCE1MAPTPLA2G1B

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6841550-B1 Benzoxazine and benzothiazine derivatives and their use in medicines SCHERING AKTIENGESELLSCHAFT (DE) 2005-01-11 US disclosed
EP-1114037-B1 BENZOXAZINE AND BENZOTHIAZINE DERIVATIVES AND THEIR USE IN MEDICINES SCHERING AG (DE) 2004-05-12 EP disclosed