SCHEMBL28840433

SCHEMBL28840433

CC(COc1cc(C(=O)NC2CC2)c(Cl)cc1F)NS(=O)(=O)C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.50
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA3 P07451 1/20 0.39
CA4 P22748 1/20 0.39
CA6 P23280 1/20 0.39
CA5A P35218 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA13 Q8N1Q1 1/20 0.39
CA14 Q9ULX7 1/20 0.39
CA5B Q9Y2D0 1/20 0.39
GAA P10253 1/20 0.39
MCHR1 Q99705 1/20 0.38
CRHR1 P34998 7/20 0.38
ALDH1A1 P00352 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
SCHEMBL28840502 1.00 HPGD (0.50) HPGDNPC1RAB9ASMN1; SMN2CA12
SCHEMBL28840409 0.85 ATM (0.39) HPGDSMN1; SMN2CA12CA1CA2
SCHEMBL28840400 0.85 ATM (0.39) HPGDSMN1; SMN2CA12CA1CA2
SCHEMBL28840402 0.84 NPC1 (0.37) HPGDNPC1RAB9ASMN1; SMN2CA12
SCHEMBL30103005 0.84 LMNA (0.39) HPGDSMN1; SMN2GAAALDH1A1POLB
SCHEMBL30638644 0.83 CRHR1 (0.41) HPGDGAACRHR1
SCHEMBL26660252 0.83 CRHR1 (0.41) HPGDGAACRHR1
SCHEMBL26660222 0.83 CRHR1 (0.41) HPGDGAACRHR1
SCHEMBL28840447 0.81 LRRK2 (0.38) SCN9A
SCHEMBL28840448 0.81 LRRK2 (0.38) SCN9A

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