SCHEMBL7051566

SCHEMBL7051566

COC(=O)COc1ccc(C)cc1-c1nsc2ccc(-n3c(=O)cc(C(F)(F)F)n(C)c3=O)cc12

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.35
POLB P06746 1/20 0.35
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
TP53 P04637 1/20 0.31
AR P10275 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL7459566 0.92 PTGDR2 (0.38) KDM4EMEN1KMT2A
SCHEMBL7462824 0.92 TP53 (0.33) KDM4ETP53L3MBTL1
SCHEMBL7467239 0.92 PTGDR2 (0.34)
SCHEMBL8339743 0.89 ESR1 (0.30)
SCHEMBL7460136 0.89 MEN1 (0.33) MEN1KMT2ATP53
SCHEMBL7455498 0.89 ALPL (0.33)
SCHEMBL7459184 0.89 BCHE (0.31) MEN1KMT2A
SCHEMBL7453077 0.89 TRPM8 (0.33) KDM4E
SCHEMBL7458898 0.88 BRD9 (0.36) KDM4EMEN1KMT2ATP53
SCHEMBL7461672 0.87

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
EP-1306007-A1 Compositions and method to safen crops from injury caused by uracil-substituted benzisothiazoles BASF AKTIENGESELLSCHAFT (DE) 2003-05-02 EP claimed
EP-1306007-A1 Compositions and method to safen crops from injury caused by uracil-substituted benzisothiazoles BASF AKTIENGESELLSCHAFT (DE) 2003-05-02 EP disclosed