SCHEMBL18646045

SCHEMBL18646045

FC(F)(F)Oc1ccccc1NCCN(I)I

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.40
▸ EPHX2 P34913 2/20 0.39
▸ GBA1 P04062 1/20 0.38
▸ DDB1 Q16531 1/20 0.36
▸ CRBN Q96SW2 1/20 0.36
▸ C1R P00736 1/20 0.36
▸ CHRM2 P08172 1/20 0.36
▸ SLC6A3 Q01959 4/20 0.33
▸ DRD2 P14416 3/20 0.33
▸ P2RX7 Q99572 1/20 0.33
▸ NAMPT P43490 1/20 0.33
▸ HDAC3 O15379 1/20 0.33
▸ HDAC1 Q13547 1/20 0.33
▸ HDAC2 Q92769 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33
▸ SLC6A2 P23975 1/20 0.33
▸ SLC6A4 P31645 1/20 0.33
▸ SLC40A1 Q9NP59 1/20 0.32
▸ PTGES2 Q9H7Z7 1/20 0.32
▸ RXRA P19793 1/20 0.32

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
SCHEMBL6230288 0.79 GAA (0.43) GAAEPHX2GBA1DDB1CRBN
SCHEMBL7733811 0.79 GBA1 (0.54) GAAEPHX2GBA1DDB1CRBN
SCHEMBL7736582 0.79 GAA (0.43) GAAEPHX2GBA1DDB1CRBN
SCHEMBL18622663 0.79 CA12 (0.46) GAAEPHX2GBA1DDB1CRBN
SCHEMBL2093975 0.75 CHRM2 (0.49) GAAEPHX2GBA1DDB1CRBN
SCHEMBL6235230 0.75 GAA (0.45) GAAEPHX2GBA1DDB1CRBN
SCHEMBL14122137 0.74 CHRM2 (0.48) GAAEPHX2GBA1DDB1CRBN
SCHEMBL6858362 0.72 GAA (0.43) GAAEPHX2GBA1DDB1CRBN
SCHEMBL3192934 0.72 EPHX2 (0.57) GAAEPHX2GBA1DDB1CRBN
SCHEMBL5645988 0.69 GAA (0.49) GAAEPHX2DDB1CRBNC1R

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-2017044314-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2017-03-16 — — WO disclosed
Send feedback