SCHEMBL28840435

SCHEMBL28840435

CC(COc1ccc(C(=O)O)c(Cl)c1)NS(=O)(=O)C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
ATM Q13315 1/20 0.37
PLA2G4A P47712 1/20 0.36
HTR1D P28221 1/20 0.36
HTR1B P28222 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
S1PR2 O95136 1/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
TSHR P16473 1/20 0.35
CASP1 P29466 1/20 0.35
MYC P01106 1/20 0.35
NR4A1 P22736 1/20 0.35

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
SCHEMBL26660206 0.81 SCN9A (0.34)
SCHEMBL26660209 0.81 SCN9A (0.34)
SCHEMBL28840409 0.81 ATM (0.39) ATMSMN1; SMN2
SCHEMBL28840397 0.81 KDM4E (0.40) ALDH1A1
SCHEMBL28840431 0.81 KDM4E (0.40) ALDH1A1
SCHEMBL28840400 0.81 ATM (0.39) ATMSMN1; SMN2
SCHEMBL31368184 0.79 ATM (0.36) ATMSMN1; SMN2MEN1KMT2ATSHR
SCHEMBL26660288 0.79 ATM (0.36) ATMSMN1; SMN2MEN1KMT2ATSHR
SCHEMBL26660279 0.79 ATM (0.36) ATMSMN1; SMN2MEN1KMT2ATSHR
SCHEMBL9197144 0.77 TSHR (0.47) ALDH1A1PLA2G4ASMN1; SMN2TSHRCASP1

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