SCHEMBL20076646

SCHEMBL20076646

C=C(Nc1c(N)ccc(F)c1F)C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.36
HDAC2 Q92769 4/20 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
SCHEMBL20050942 0.79 HDAC1 (0.42) HDAC1HDAC2
SCHEMBL23465367 0.72 KCNQ3 (0.35) HDAC1
SCHEMBL20077013 0.72 FADS1 (0.36) HDAC1
SCHEMBL23465743 0.72 HDAC1 (0.35) HDAC1HDAC2
SCHEMBL22642784 0.71 HDAC1 (0.48) HDAC1HDAC2
SCHEMBL20077005 0.69 PTGS1 (0.50) HDAC1HDAC2
SCHEMBL20077025 0.69 TMPRSS4 (0.35)
SCHEMBL5510292 0.67 ALDH1A1 (0.34) HDAC1HDAC2
SCHEMBL6488358 0.65 GAA (0.44)
SCHEMBL309355 0.64 KDM4E (0.38) HDAC1HDAC2

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
WO-2018071327-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2018-04-19 WO disclosed