SCHEMBL6304809

SCHEMBL6304809

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.39
MEN1 O00255 7/20 0.38
KMT2A Q03164 7/20 0.38
GAA P10253 1/20 0.38
ALDH1A1 P00352 3/20 0.35
DRD2 P14416 4/20 0.35
KDM4E B2RXH2 2/20 0.33
RCE1 Q9Y256 1/20 0.33
NPSR1 Q6W5P4 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
PLA2G1B P04054 1/20 0.33
HPGD P15428 1/20 0.33
XBP1 P17861 1/20 0.33
HTT P42858 1/20 0.33
ATG4B Q9Y4P1 1/20 0.33
CYP1A1 P04798 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2B6 P20813 1/20 0.33
CYP2C19 P33261 1/20 0.33
CYP3A43 Q9HB55 1/20 0.33

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
SCHEMBL6302681 0.90 MAPT (0.40) MAPTMEN1KMT2AGAAALDH1A1
SCHEMBL5473212 0.90 MAPT (0.40) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL5467225 0.89 MAPT (0.39) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL5472786 0.88 MAPT (0.41) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL5465748 0.87 DRD2 (0.37) MAPTKMT2ADRD2KDM4ENPSR1
SCHEMBL5464875 0.87 MAPT (0.34) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL5465439 0.86 DRD2 (0.36) MAPTMEN1KMT2AGAAALDH1A1
SCHEMBL6427951 0.86 CTSK (0.33) MAPTALDH1A1KDM4ERCE1NPSR1
SCHEMBL7704943 0.83 ALDH1A1 (0.43) MAPTMEN1KMT2AALDH1A1NPSR1
SCHEMBL7095640 0.82 ALDH1A1 (0.37) MAPTMEN1KMT2AGAAALDH1A1

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 4 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
EP-1114037-A1 BENZOXAZINE AND BENZOTHIAZINE DERIVATIVES AND THEIR USE IN MEDICINES Schering Aktiengesellschaft (DE) 2001-07-11 EP disclosed
WO-2000017173-A1 BENZOXAZINE AND BENZOTHIAZINE DERIVATIVES AND THEIR USE IN MEDICINES SCHERING AKTIENGESELLSCHAFT (DE) 2000-03-30 WO disclosed