SCHEMBL20076408

SCHEMBL20076408

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

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 6/20 0.36
MEN1 O00255 4/20 0.31
KMT2A Q03164 4/20 0.31
ALDH1A1 P00352 2/20 0.30
MAPT P10636 1/20 0.30
HTT P42858 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
TSHR P16473 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
SCHEMBL23465560 0.79 NPSR1 (0.34) SLC9A1MEN1KMT2AALDH1A1MAPT
SCHEMBL20076781 0.75 TMPRSS4 (0.34) SLC9A1MEN1KMT2AMAPTHTT
SCHEMBL20076750 0.74 SLC9A1 (0.35) SLC9A1MEN1KMT2AALDH1A1MAPT
SCHEMBL20076386 0.73 SLC9A1 (0.39) SLC9A1
SCHEMBL20076379 0.73 SLC9A1 (0.42) SLC9A1MEN1KMT2AALDH1A1MAPT
SCHEMBL20076828 0.72 SLC9A1 (0.37) SLC9A1
SCHEMBL20076397 0.71 TSHR (0.34) MEN1KMT2AALDH1A1MAPTHTT
SCHEMBL20076442 0.71 MEN1 (0.38) SLC9A1MEN1KMT2AALDH1A1MAPT
SCHEMBL20076601 0.70 LMNA (0.34) SLC9A1MEN1KMT2AMAPTHTT
SCHEMBL20076729 0.69 SLC9A1 (0.44) SLC9A1

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