SCHEMBL20076702

SCHEMBL20076702

C=C(NCCC)c1c(F)ccc(N)c1F

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA2 P47869 1/20 0.32
EPHX2 P34913 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TRPA1 O75762 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
SCHEMBL20051091 0.81 GABRG2 (0.41) MEN1KMT2AGABRG2GABRB3GABRA2
SCHEMBL30739798 0.81 GABRG2 (0.41) MEN1KMT2AGABRG2GABRB3GABRA2
SCHEMBL20076659 0.76
SCHEMBL20051088 0.71 PRKCZ (0.37) MEN1KMT2AALDH1A1
SCHEMBL30739958 0.71 PRKCZ (0.37) MEN1KMT2AALDH1A1
SCHEMBL20076858 0.70 GAA (0.41) MEN1KMT2AEPHX2ALDH1A1
SCHEMBL20076658 0.70 ALDH1A1 (0.41) MEN1KMT2AALDH1A1
SCHEMBL13753146 0.67 L3MBTL1 (0.45) MEN1KMT2AEPHX2ALDH1A1TRPA1
SCHEMBL22383534 0.67 ALDH1A1 (0.45) KMT2AALDH1A1
SCHEMBL20051588 0.67 NPC1 (0.42) MEN1KMT2AALDH1A1

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