SCHEMBL6980601

SCHEMBL6980601

Cc1cc[nH]c1-c1nsc2ccc(-n3c(=O)cc(C(F)(F)F)n(C)c3=O)cc12

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TP53 P04637 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
SCHEMBL6771354 0.84 TP53 (0.32) TP53
SCHEMBL6777575 0.83
SCHEMBL6977123 0.83
SCHEMBL6974181 0.82 BCAT1 (0.42)
SCHEMBL7463389 0.82 TP53 (0.30) TP53
SCHEMBL6777028 0.82 TP53 (0.30) TP53
SCHEMBL6766878 0.82 PTGS2 (0.35) TP53
SCHEMBL6770717 0.82 TP53 (0.32) TP53
SCHEMBL6773469 0.82 BRD4 (0.30)
SCHEMBL6773262 0.82 PTGS2 (0.32) TP53

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
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
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