SCHEMBL29940529

SCHEMBL29940529

O=C(O)c1cnc2c(F)c(F)ccc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMD14 O00487 4/20 0.53
MGAM O43451 1/20 0.47
EGLN1 Q9GZT9 1/20 0.43
ABCG2 Q9UNQ0 1/20 0.42
HCAR2 Q8TDS4 3/20 0.41
P4HA1 P13674 2/20 0.39
P4HTM Q9NXG6 2/20 0.39
VNN1 O95497 1/20 0.38
STAMBP O95630 2/20 0.38
COPS5 Q92905 2/20 0.38
MIF P14174 1/20 0.38
GABRP O00591 1/20 0.37
GABRD O14764 1/20 0.37
GABRA1 P14867 1/20 0.37
GABRB1 P18505 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
GABRA5 P31644 1/20 0.37
GABRA3 P34903 1/20 0.37
GABRA2 P47869 1/20 0.37

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
SCHEMBL2675814 1.00 PSMD14 (0.53) PSMD14MGAMEGLN1ABCG2HCAR2
Butane SCHEMBL7227124 0.93 PSMD14 (0.47) PSMD14MGAMEGLN1ABCG2HCAR2
SCHEMBL30547697 0.85 PSMD14 (0.54) PSMD14ABCG2VNN1STAMBPCOPS5
SCHEMBL7085565 0.85 PSMD14 (0.54) PSMD14ABCG2VNN1STAMBPCOPS5
SCHEMBL24358238 0.84 PSMD14 (0.50) PSMD14MGAMHCAR2P4HA1P4HTM
SCHEMBL31058237 0.84 PSMD14 (0.64) PSMD14MGAMEGLN1HCAR2P4HA1
SCHEMBL1087851 0.84 PSMD14 (0.64) PSMD14MGAMEGLN1HCAR2P4HA1
SCHEMBL2675676 0.81 PSMD14 (0.46) PSMD14MGAMEGLN1HCAR2P4HA1
SCHEMBL18987780 0.80 HTT (0.49) PSMD14MGAM
SCHEMBL3372289 0.80 PSMD14 (0.65) PSMD14MGAMEGLN1HCAR2P4HA1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024068656-A1 FUNGICIDAL COMPOSITIONS SYNGENTA CROP PROTECTION AG (CH) 2024-04-04 WO disclosed
EP-4326710-A1 MICROBIOCIDAL QUINOLINE/QUINOXALINE ISOQUINOLINE DERIVATIVES Syngenta Crop Protection AG (CH) 2024-02-28 EP disclosed
CN-117177963-A Microbiocidal quinoline/quinoxaline isoquinoline derivatives 先正达农作物保护股份公司 2023-12-05 CN disclosed
WO-2022223376-A1 MICROBIOCIDAL QUINOLINE/QUINOXALINE ISOQUINOLINE DERIVATIVES SYNGENTA CROP PROTECTION AG (CH) 2022-10-27 WO disclosed