SCHEMBL6978026

SCHEMBL6978026

COc1cccnc1-c1snc2ccc(-n3c(=O)cc(C(F)(F)F)n(C)c3=O)cc12

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BRD9 Q9H8M2 2/20 0.31
TNF P01375 1/20 0.31
LITAF Q99732 1/20 0.31
NFE2L2 Q16236 1/20 0.31
TRPV1 Q8NER1 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
SCHEMBL6772599 0.85 BRD9 (0.32) BRD9TNFLITAFTRPV1
SCHEMBL6986118 0.83 BRD9 (0.33) BRD9
SCHEMBL6766737 0.76 PTGS2 (0.32)
SCHEMBL7677667 0.76 PTGS2 (0.34)
SCHEMBL6767260 0.76 TGFBR1 (0.35)
SCHEMBL6985077 0.76 CASP3 (0.30)
SCHEMBL7458398 0.75 ALPL (0.39) BRD9TRPV1
SCHEMBL6770297 0.74 TRPV1 (0.39) TRPV1
SCHEMBL6766199 0.73 TRPV1 (0.30) TRPV1
SCHEMBL6984578 0.73 MCHR1 (0.32)

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