SCHEMBL7970802

SCHEMBL7970802

Cn1c(C(F)(F)F)nn(-c2cc(O)c(C#N)cc2F)c1=O

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 17/20 0.42
CTSK P43235 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL6103445 0.89 DHODH (0.42) DHODHCTSKL3MBTL1
SCHEMBL9053504 0.86 CTSK (0.39) DHODHCTSK
SCHEMBL8829582 0.83 DHODH (0.42) DHODHCTSKL3MBTL1
SCHEMBL6504729 0.83 DHODH (0.45) DHODH
SCHEMBL9053908 0.82 DHODH (0.37) DHODHL3MBTL1
SCHEMBL6106477 0.80 DHODH (0.40) DHODHCTSK
SCHEMBL6308458 0.78 PGR (0.40) DHODHCTSK
SCHEMBL6498158 0.78 DHODH (0.38) DHODHCTSKL3MBTL1
SCHEMBL6495187 0.78 L3MBTL1 (0.43) DHODHCTSKL3MBTL1
Potassium SCHEMBL7157685 0.77 PGR (0.39) DHODHCTSK

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
US-6172225-B1 HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 2001-01-09 US disclosed
EP-0906270-B1 PROCESS FOR PRODUCING HYDROXYARENES BAYER AG (DE) 2000-10-25 EP disclosed