SCHEMBL28517262

SCHEMBL28517262

Fc1ccc([Mg]Cl)c(C(F)(F)F)c1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.42
TRPA1 O75762 2/20 0.33
HSD11B1 P28845 2/20 0.32
AR P10275 5/20 0.32
HCAR1 Q9BXC0 1/20 0.32
PIK3CD O00329 1/20 0.31
MRGPRX4 Q96LA9 1/20 0.31
P2RX7 Q99572 1/20 0.30
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 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
SCHEMBL7813778 0.73 ALDH1A1 (0.42) IDO1
SCHEMBL7601736 0.72 IDO1 (0.50) IDO1TRPA1ARHCAR1
SCHEMBL29572246 0.71 IDO1 (0.48) IDO1HSD11B1
SCHEMBL3920564 0.71 IDO1 (0.48) IDO1HSD11B1
SCHEMBL1446040 0.71 LMNA (0.39) IDO1HSD11B1P2RX7
SCHEMBL29775945 0.70 IDO1 (0.48) IDO1AR
SCHEMBL7265211 0.70 IDO1 (0.48) IDO1AR
SCHEMBL31261019 0.69 NFE2L2 (0.38)
SCHEMBL29708357 0.69 IDO1 (0.47) IDO1TRPA1ARHCAR1MRGPRX4
SCHEMBL695658 0.69 IDO1 (0.47) IDO1TRPA1ARHCAR1MRGPRX4

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
CN-112047895-A Triazole compound and preparation method and application thereof 东莞市东阳光农药研发有限公司 2020-12-08 CN disclosed