SCHEMBL6986118

SCHEMBL6986118

COc1ccsc1-c1snc2ccc(-n3c(=O)cc(C(F)(F)F)n(C)c3=O)cc12

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BRD9 Q9H8M2 2/20 0.33
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
MCHR1 Q99705 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
SCHEMBL6985077 0.87 CASP3 (0.30)
SCHEMBL6772825 0.84 BRD9 (0.34) BRD9
SCHEMBL6978026 0.83 BRD9 (0.31) BRD9
SCHEMBL6767260 0.80 TGFBR1 (0.35)
SCHEMBL6766737 0.79 PTGS2 (0.32) MCHR1
SCHEMBL7677667 0.76 PTGS2 (0.34) MCHR1
SCHEMBL7461798 0.74 KMT2A (0.33) MCHR1
SCHEMBL6772693 0.74 MAPT (0.32)
SCHEMBL7466715 0.74 BRD9 (0.33) BRD9
SCHEMBL6984578 0.73 MCHR1 (0.32) MCHR1

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-1274708-A1 HERBICIDAL 3-HETEROCYCLIC SUBSTITUTED BENZISOTHIAZOLE AND BENZISOXAZOLE COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 2003-01-15 EP claimed
WO-2001079203-A1 HERBICIDAL 3-HETEROCYCLIC SUBSTITUTED BENZISOTHIAZOLE AND BENZISOXAZOLE COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 2001-10-25 WO claimed