SCHEMBL6498158

SCHEMBL6498158

Cn1c(C(F)(F)F)nn(-c2cc(F)c(C#N)cc2Cl)c1=O

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 9/20 0.38
CTSK P43235 1/20 0.37
GAA P10253 2/20 0.35
ATM Q13315 1/20 0.33
BCAT2 O15382 1/20 0.32
BCAT1 P54687 1/20 0.32
TRPV4 Q9HBA0 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
KDM1A O60341 1/20 0.31

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) DHODHCTSKBCAT2BCAT1TRPV4
SCHEMBL6495847 0.79 AR (0.44) DHODHCTSKTRPV4L3MBTL1
SCHEMBL7970802 0.78 DHODH (0.42) DHODHCTSKL3MBTL1
SCHEMBL5420508 0.77 CTSK (0.47) CTSK
SCHEMBL8829582 0.76 DHODH (0.42) DHODHCTSKL3MBTL1
SCHEMBL6504729 0.76 DHODH (0.45) DHODHBCAT2BCAT1
SCHEMBL6506687 0.76 CTSK (0.44) DHODHCTSK
SCHEMBL10417411 0.76 DHODH (0.38) DHODHGAAATML3MBTL1
SCHEMBL6496551 0.75 TRPV4 (0.36) DHODHBCAT2BCAT1TRPV4
SCHEMBL6495187 0.75 L3MBTL1 (0.43) DHODHCTSKATML3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-7076578-A None JP disclosed
US-6906006-B1 N-arly-substituted nitrogen-containing heterocycles, processes and novel intermediates for their preparation, and their use as herbicides and plant growth regulators BAYER AKTIENGESELLSCHAFT (DE) 2005-06-14 US disclosed
EP-0597360-B1 Substituted N-phenyl-triazolin (thi)ones, processes and intermediates for their production and their use as herbicides, insecticides and acaricides BAYER AG (DE) 2001-10-17 EP disclosed
JP-H0776578-A SUBSTITUTED TRIAZOLINONES BAYER AG 1995-03-20 JP disclosed
EP-0597360-A1 Substituted N-phenyl-triazolin (thi)ones, processes and intermediates for their production and their use as herbicides, insecticides and acaricides BAYER AG (DE) 1994-05-18 EP disclosed