SCHEMBL6984669

SCHEMBL6984669

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

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 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
SCHEMBL6777449 0.81 ALDH1A1 (0.30) ALDH1A1
SCHEMBL7461798 0.78 KMT2A (0.33) ALDH1A1
SCHEMBL6776830 0.77 NOTUM (0.32) ALDH1A1
SCHEMBL6766737 0.76 PTGS2 (0.32)
Hydrochloric Acid SCHEMBL6767471 0.76 NOTUM (0.32) ALDH1A1
SCHEMBL6985077 0.76 CASP3 (0.30)
SCHEMBL6767260 0.76 TGFBR1 (0.35)
SCHEMBL7463812 0.75 GSK3A (0.30)
SCHEMBL6974623 0.75
SCHEMBL7454412 0.74 ATM (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 disclosed
WO-2001079203-A1 HERBICIDAL 3-HETEROCYCLIC SUBSTITUTED BENZISOTHIAZOLE AND BENZISOXAZOLE COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 2001-10-25 WO disclosed