SCHEMBL28459504

SCHEMBL28459504

CCCCCCCC(Cl)SC(=O)Oc1cc(Cl)nnc1-c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PTGES O14684 10/20 0.40
▸ ALOX5 P09917 9/20 0.40
▸ PPARG P37231 4/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ PPARA Q07869 2/20 0.38
▸ SOAT1 P35610 1/20 0.38

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
Pyridate SCHEMBL53240 0.83 SOAT1 (0.40) MEN1CYP1A2CYP3A4CYP2C9CYP2C19
Pyridate SCHEMBL9065928 0.83 SOAT1 (0.40) MEN1CYP1A2CYP3A4CYP2C9CYP2C19
Pyridate SCHEMBL30750987 0.83 SOAT1 (0.40) MEN1CYP1A2CYP3A4CYP2C9CYP2C19
Pyridate SCHEMBL9474519 0.82 SOAT1 (0.40) MEN1CYP1A2CYP3A4CYP2C9CYP2C19
Pyridate SCHEMBL29156423 0.82 SOAT1 (0.40) MEN1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL11085967 0.80 ALDH1A1 (0.38) CYP2C9KMT2A
SCHEMBL28555825 0.79 SOAT1 (0.37) MEN1CYP1A2CYP3A4CYP2C9CYP2C19
Pyridate SCHEMBL28869068 0.79 ADORA3 (0.37) MEN1CYP1A2CYP3A4CYP2C9CYP2C19
Pyridate SCHEMBL22685545 0.79 ADORA3 (0.37) MEN1CYP1A2CYP3A4CYP2C9CYP2C19
Bicarbonate SCHEMBL9474511 0.78 ALDH1A1 (0.46) PTGESALOX5PPARGKMT2ASOAT1

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-114521562-A Ternary weeding composition and application thereof 青岛清原化合物有限公司 2022-05-24 — — CN disclosed
CN-108157374-B Ternary weeding composition and application thereof 青岛清原化合物有限公司 2022-03-15 — — CN disclosed
CN-111670180-A Fluoroalkenyl compounds, process for their preparation and their use PI工业有限公司 2020-09-15 — — CN disclosed
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