SCHEMBL28840402

SCHEMBL28840402

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
HPGD P15428 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
ALDH1A1 P00352 1/20 0.37
PTGES O14684 5/20 0.35
POLB P06746 1/20 0.34
APEX1 P27695 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA3 P07451 1/20 0.34
CA4 P22748 1/20 0.34
CA6 P23280 1/20 0.34
CA5A P35218 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
CA13 Q8N1Q1 1/20 0.34
CA14 Q9ULX7 1/20 0.34
CA5B Q9Y2D0 1/20 0.34

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
SCHEMBL28840400 0.86 ATM (0.39) HPGDSMN1; SMN2CA12CA1CA2
SCHEMBL28840409 0.86 ATM (0.39) HPGDSMN1; SMN2CA12CA1CA2
SCHEMBL30103005 0.85 LMNA (0.39) HPGDSMN1; SMN2ALDH1A1POLBSCN9A
SCHEMBL28840415 0.85 NPC1 (0.35) NPC1RAB9AHPGDSMN1; SMN2ALDH1A1
SCHEMBL28840433 0.84 HPGD (0.50) NPC1RAB9AHPGDSMN1; SMN2ALDH1A1
SCHEMBL28840502 0.84 HPGD (0.50) NPC1RAB9AHPGDSMN1; SMN2ALDH1A1
SCHEMBL28840448 0.82 LRRK2 (0.38) SCN9A
SCHEMBL23706707 0.82 NPC1 (0.40) NPC1RAB9AHPGDSMN1; SMN2ALDH1A1
SCHEMBL28840413 0.82 NPC1 (0.35) NPC1RAB9AHPGDSMN1; SMN2ALDH1A1
SCHEMBL28840443 0.82 SCN9A (0.31) HPGDSMN1; SMN2SCN9APYGLLMNA

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