SCHEMBL6496551

SCHEMBL6496551

N#Cc1cc(F)c(-n2nc(C(F)(F)F)n(N)c2=O)cc1F

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.36
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
DHODH Q02127 2/20 0.32
BCAT2 O15382 5/20 0.31
BCAT1 P54687 5/20 0.31
KHK P50053 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
SCHEMBL6103445 0.86 DHODH (0.42) TRPV4DHODHBCAT2BCAT1
SCHEMBL6503798 0.82 TRPV4 (0.35) TRPV4DHODHBCAT2BCAT1
SCHEMBL8829573 0.82 PPOX (0.35) DHODH
SCHEMBL9248057 0.81 TRPV4 (0.34) TRPV4DHODHBCAT2BCAT1
SCHEMBL9053571 0.81 CTSK (0.41) TRPV4DHODH
SCHEMBL16324966 0.81 CTSK (0.39) TRPV4CYP11B1CYP11B2DHODH
SCHEMBL9126605 0.79 TRPV4 (0.33) TRPV4CYP11B1CYP11B2
SCHEMBL6502642 0.75 TRPV4 (0.37) TRPV4CYP11B1CYP11B2DHODH
SCHEMBL6498158 0.75 DHODH (0.38) TRPV4DHODHBCAT2BCAT1
SCHEMBL7970802 0.75 DHODH (0.42) DHODH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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