SCHEMBL28928678

SCHEMBL28928678

C[C@H](NC(=O)c1cc(Br)cc(OC(Cl)C(Cl)=CCl)c1)C(N)=O

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 2/20 0.38
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA9 Q16790 1/20 0.33
HPGD P15428 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL28928724 0.83
SCHEMBL28928706 0.78 POLB (0.36)
SCHEMBL26616637 0.76 CA1 (0.46) HPGDSCA12CA1CA9HPGD
SCHEMBL26616638 0.76 CA1 (0.46) HPGDSCA12CA1CA9HPGD
SCHEMBL25182388 0.75 HPGDS (0.39) HPGDSCA12CA1CA9HPGD
SCHEMBL25182385 0.75 HPGDS (0.39) HPGDSCA12CA1CA9HPGD
SCHEMBL24017341 0.74 CA1 (0.46) HPGDSCA12CA1CA9
SCHEMBL26616639 0.74 CA1 (0.46) HPGDSCA12CA1CA9
SCHEMBL30293929 0.74 CA1 (0.46) HPGDSCA12CA1CA9
SCHEMBL28928702 0.70 EGLN2 (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115551839-B Heteroaryl-triazole compounds as pesticides 拜耳公司 2024-06-04 CN disclosed
CN-115551839-A Heteroaryl-triazole compounds as pesticides 拜耳公司 2022-12-30 CN disclosed