SCHEMBL20076889

SCHEMBL20076889

C=C(C)c1cc(N)cc(F)c1F

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
IKBKE Q14164 1/20 0.33
TBK1 Q9UHD2 1/20 0.33
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL20076491 0.82 KDM4E (0.37) IKBKETBK1KDM4EMEN1KMT2A
SCHEMBL20076570 0.78 CES2 (0.35) CES2CES1
SCHEMBL20076496 0.77 TBK1 (0.30) TBK1
SCHEMBL23864570 0.75 ALDH1A1 (0.35) IKBKETBK1CES2CES1KDM4E
SCHEMBL10158627 0.75 CRBN (0.38) IKBKETBK1CES2CES1KDM4E
SCHEMBL38657971 0.75 CRBN (0.38) IKBKETBK1CES2CES1KDM4E
SCHEMBL671650 0.72 KDM4E (0.48) CES2CES1KDM4EMEN1KMT2A
SCHEMBL30739727 0.72 KDM4E (0.48) CES2CES1KDM4EMEN1KMT2A
SCHEMBL28058282 0.72 CES2 (0.43) CES2CES1KDM4EMEN1KMT2A
SCHEMBL20076670 0.72 RAPGEF4 (0.32) CES2CES1

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