SCHEMBL6980485

SCHEMBL6980485

Cn1c(C(F)(F)F)cc(=O)n(-c2ccc3nsc(C4OCC(CS(C)(=O)=O)O4)c3c2)c1=O

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 4/20 0.32
MCHR1 Q99705 2/20 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
SCHEMBL6983972 0.86
SCHEMBL6766710 0.86 PIM1 (0.33) PIM1
SCHEMBL6974623 0.81
SCHEMBL6981522 0.80 NPC1 (0.31) MCHR1
SCHEMBL6984578 0.80 MCHR1 (0.32) MCHR1
SCHEMBL6977588 0.79
SCHEMBL7138248 0.77
SCHEMBL6766598 0.75
SCHEMBL6766660 0.75
SCHEMBL6771640 0.75

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