SCHEMBL29435286

SCHEMBL29435286

Nc1nc(F)c(F)cc1F

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KHK P50053 1/20 0.42
NQO1 P15559 1/20 0.35
ALDH1A1 P00352 1/20 0.30
LMNA P02545 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
SCHEMBL3216329 1.00 KHK (0.42) KHKNQO1ALDH1A1LMNA
SCHEMBL1565794 0.85 KHK (0.46) KHKNQO1ALDH1A1LMNA
SCHEMBL16644624 0.81 NQO1 (0.33) KHKNQO1ALDH1A1
SCHEMBL30762225 0.81 NQO1 (0.33) KHKNQO1ALDH1A1
SCHEMBL7857498 0.79 KHK (0.48) KHKNQO1ALDH1A1
SCHEMBL846319 0.78
SCHEMBL18033375 0.77 NOS3 (0.38) KHKNQO1ALDH1A1
SCHEMBL20355266 0.77 KHK (0.38) KHKNQO1ALDH1A1
SCHEMBL1256444 0.77 KHK (0.38) KHKNQO1
SCHEMBL26961128 0.77 SLC9A1 (0.39) KHKNQO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114249710-B Herbicidal uracil pyridines 巴斯夫欧洲公司 2024-07-23 CN disclosed
CN-114249710-A Herbicidal uracils 巴斯夫欧洲公司 2022-03-29 CN disclosed
CN-109311842-B Herbicidal uracils 巴斯夫欧洲公司 2022-03-25 CN disclosed