SCHEMBL20076765

SCHEMBL20076765

C=C(Nc1ccc(F)cc1F)c1cc(NC(=C)C2C(c3ccc(F)c(Cl)c3)C2(Cl)Cl)cc(C)c1F

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
TAS1R2 Q8TE23 1/20 0.33
MAPT P10636 2/20 0.33
IDH1 O75874 1/20 0.32
LMNA P02545 2/20 0.32
HPGD P15428 1/20 0.32
HTT P42858 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
ALDH1A1 P00352 1/20 0.30
MAPK1 P28482 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
SCHEMBL23465613 0.85 MEN1 (0.43) TAS1R3TAS1R1TAS1R2MAPTIDH1
SCHEMBL20050621 0.83 MEN1 (0.44) TAS1R3TAS1R1TAS1R2MAPTIDH1
SCHEMBL20050594 0.79 MEN1 (0.44) TAS1R3TAS1R1TAS1R2MAPTLMNA
SCHEMBL23465231 0.77 MEN1 (0.42) TAS1R3TAS1R1TAS1R2MAPTLMNA
SCHEMBL20051494 0.76 MEN1 (0.44) TAS1R3TAS1R1TAS1R2MAPTLMNA
SCHEMBL20050307 0.76 MEN1 (0.44) TAS1R3TAS1R1TAS1R2MAPTLMNA
SCHEMBL20076726 0.76 HDAC1 (0.37) MAPTLMNAHTTMEN1KMT2A
SCHEMBL20050937 0.76 MEN1 (0.46) TAS1R3TAS1R1TAS1R2MAPTLMNA
SCHEMBL20050981 0.76 MEN1 (0.46) TAS1R3TAS1R1TAS1R2MAPTLMNA
SCHEMBL23465611 0.75 MEN1 (0.53) MAPTLMNAHPGDHTTMEN1

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