SCHEMBL28840413

SCHEMBL28840413

CC(COc1cc(C(=O)NCC(F)(F)F)c(Cl)cc1F)N(C(=O)O)S(=O)(=O)C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ALDH1A1 P00352 1/20 0.35
PTGES O14684 4/20 0.35
PYGL P06737 1/20 0.34
POLB P06746 1/20 0.33
APEX1 P27695 1/20 0.33
SCN9A Q15858 7/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA3 P07451 1/20 0.32
CA4 P22748 1/20 0.32
CA6 P23280 1/20 0.32
CA5A P35218 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
CA13 Q8N1Q1 1/20 0.32

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
SCHEMBL28953053 0.82 PYGL (0.30) PYGL
SCHEMBL28840449 0.82 NPC1 (0.37) NPC1RAB9AHPGDSMN1; SMN2ALDH1A1
SCHEMBL28840402 0.82 NPC1 (0.37) NPC1RAB9AHPGDSMN1; SMN2ALDH1A1
SCHEMBL28840456 0.82 NPC1 (0.37) NPC1RAB9AHPGDSMN1; SMN2ALDH1A1
SCHEMBL23706707 0.80 NPC1 (0.40) NPC1RAB9AHPGDSMN1; SMN2ALDH1A1
SCHEMBL28840415 0.79 NPC1 (0.35) NPC1RAB9AHPGDSMN1; SMN2ALDH1A1
SCHEMBL23706598 0.77 NPC1 (0.38) NPC1RAB9AHPGDSMN1; SMN2ALDH1A1
SCHEMBL28840830 0.75 AAK1 (0.43) NPC1RAB9AHPGDSMN1; SMN2ALDH1A1
SCHEMBL23706659 0.74 NPC1 (0.36) NPC1RAB9AHPGDSMN1; SMN2ALDH1A1
SCHEMBL23706643 0.74 NPC1 (0.42) NPC1RAB9AHPGDSMN1; SMN2ALDH1A1

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-115052856-A 3-alkoxybenzamide derivative and pest control agent 组合化学工业株式会社 2022-09-13 CN disclosed