SCHEMBL6985077

SCHEMBL6985077

Cn1c(C(F)(F)F)cc(=O)n(-c2ccc3nsc(-c4sccc4Cl)c3c2)c1=O

nearest known ligand 0.30

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 2/20 0.30
MAPT P10636 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
SCHEMBL6986118 0.87 BRD9 (0.33)
SCHEMBL6772693 0.84 MAPT (0.32) CASP3MAPT
SCHEMBL6767260 0.82 TGFBR1 (0.35)
SCHEMBL6766737 0.81 PTGS2 (0.32)
SCHEMBL7677667 0.78 PTGS2 (0.34)
SCHEMBL6978026 0.76 BRD9 (0.31)
SCHEMBL6984578 0.76 MCHR1 (0.32)
SCHEMBL6984669 0.76 ALDH1A1 (0.30)
SCHEMBL6770607 0.76 MAPT (0.33) MAPT
SCHEMBL6766878 0.75 PTGS2 (0.35)

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 disclosed
WO-2001079203-A1 HERBICIDAL 3-HETEROCYCLIC SUBSTITUTED BENZISOTHIAZOLE AND BENZISOXAZOLE COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 2001-10-25 WO disclosed