SCHEMBL16953569

SCHEMBL16953569

C=Cc1cc(Br)cc(SC)c1

nearest known ligand 0.30

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
SCHEMBL7325372 0.84 ALDH1A1 (0.36) ALDH1A1
SCHEMBL16950731 0.79 ALDH1A1 (0.30) ALDH1A1
SCHEMBL16951129 0.77 TP53 (0.43) ALDH1A1
SCHEMBL16960592 0.77 ALDH1A1 (0.42) ALDH1A1
SCHEMBL1203661 0.77 SLC6A4 (0.31)
SCHEMBL9395507 0.77 SLC6A4 (0.31)
SCHEMBL353448 0.77 ALDH1A1 (0.42) ALDH1A1
SCHEMBL16956336 0.75 ALDH1A1 (0.31) ALDH1A1
SCHEMBL16953930 0.75 ALDH1A1 (0.30) ALDH1A1
SCHEMBL16954964 0.72 CYP1A1 (0.51) ALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 EP disclosed