SCHEMBL28840397

SCHEMBL28840397

Cc1cc(OCC(C)NS(=O)(=O)C(F)(F)F)cc(C(=O)O)c1Cl

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MCL1 Q07820 6/20 0.38
POLB P06746 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
OGG1 O15527 1/20 0.36
HPGD P15428 1/20 0.36
MRGPRX4 Q96LA9 1/20 0.35
NR3C1 P04150 1/20 0.35
PGR P06401 1/20 0.35
NR3C2 P08235 1/20 0.35
BCL2L1 Q07817 3/20 0.35
SCN9A Q15858 3/20 0.34
KAT6A Q92794 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
SCHEMBL28840431 1.00 KDM4E (0.40) KDM4EALDH1A1L3MBTL1MCL1POLB
SCHEMBL30102993 0.90 L3MBTL1 (0.39) KDM4EALDH1A1L3MBTL1MCL1POLB
SCHEMBL26660209 0.82 SCN9A (0.34) SCN9A
SCHEMBL26660206 0.82 SCN9A (0.34) SCN9A
SCHEMBL28840419 0.81 CTSL (0.35) L3MBTL1
SCHEMBL28840420 0.81 CTSL (0.35) L3MBTL1
SCHEMBL28840435 0.81 ALDH1A1 (0.38) ALDH1A1
SCHEMBL26660215 0.81 NR3C1 (0.33) NR3C1PGRNR3C2SCN9A
SCHEMBL26660220 0.81 NR3C1 (0.33) NR3C1PGRNR3C2SCN9A
SCHEMBL30995621 0.81 SCN9A (0.33) KDM4EALDH1A1L3MBTL1HPGDNR3C1

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