SCHEMBL6504729

SCHEMBL6504729

COc1cc(-n2nc(C(F)(F)F)n(C)c2=O)c(F)cc1C#N

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 13/20 0.45
BCAT2 O15382 6/20 0.38
BCAT1 P54687 6/20 0.38
PRKDC P78527 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
SCHEMBL9054537 0.87 DHODH (0.41) DHODHBCAT2BCAT1
SCHEMBL6103445 0.87 DHODH (0.42) DHODHBCAT2BCAT1
SCHEMBL7970802 0.83 DHODH (0.42) DHODH
SCHEMBL6104039 0.83 DHODH (0.40) DHODH
SCHEMBL8829582 0.81 DHODH (0.42) DHODH
SCHEMBL6106477 0.78 DHODH (0.40) DHODH
SCHEMBL8786806 0.78 NR1I2 (0.35) DHODHBCAT2BCAT1
SCHEMBL9141549 0.78 NR1I2 (0.35) DHODHBCAT2BCAT1
SCHEMBL9248057 0.78 TRPV4 (0.34) DHODHBCAT2BCAT1
SCHEMBL6308458 0.76 PGR (0.40) 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 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