SCHEMBL6506687

SCHEMBL6506687

Cn1c(C(F)(F)F)nn(-c2cccc(C#N)c2F)c1=O

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSK P43235 7/20 0.44
NOTUM Q6P988 1/20 0.40
DHODH Q02127 7/20 0.40
KDM4E B2RXH2 1/20 0.36
HTR1A P08908 1/20 0.33
ADRA1D P25100 1/20 0.33
ADRA1A P35348 1/20 0.33
ADRA1B P35368 1/20 0.33
LMNA P02545 1/20 0.33
AR P10275 1/20 0.33

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 0.79 DHODH (0.42) CTSKDHODH
SCHEMBL6498158 0.76 DHODH (0.38) CTSKDHODH
SCHEMBL7970802 0.76 DHODH (0.42) CTSKDHODH
SCHEMBL6495187 0.75 L3MBTL1 (0.43) CTSKDHODHADRA1DADRA1AADRA1B
SCHEMBL8829582 0.74 DHODH (0.42) CTSKDHODH
SCHEMBL6504729 0.74 DHODH (0.45) DHODH
SCHEMBL6213858 0.73 DHODH (0.41) CTSKDHODHKDM4E
SCHEMBL6495847 0.72 AR (0.44) CTSKDHODHAR
SCHEMBL31470297 0.72 CTSK (0.37) CTSKDHODH
SCHEMBL5420508 0.72 CTSK (0.47) CTSKAR

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
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 claimed