SCHEMBL28905908

SCHEMBL28905908

Cc1c(Cl)cccc1Nc1ccccc1C(=O)Nc1ccc(N2CCNCC2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MT-CO2 P00403 11/20 1.00
PTGS2 P35354 4/20 0.64
TOP1 P11387 3/20 0.64
RAB9A P51151 2/20 0.56
LMNA P02545 2/20 0.56
MAPT P10636 2/20 0.56
MAPK1 P28482 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
NPC1 O15118 1/20 0.55
MAPK8 P45983 1/20 0.55
MAPK9 P45984 1/20 0.55
MAPK10 P53779 1/20 0.55
MAPKAPK2 P49137 1/20 0.53
USP2 O75604 1/20 0.52
TTR P02766 1/20 0.52
PLA2G1B P04054 1/20 0.52

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
SCHEMBL29940391 1.00 MT-CO2 (1.00) MT-CO2PTGS2TOP1RAB9ALMNA
SCHEMBL29941121 0.92 MT-CO2 (0.88) MT-CO2PTGS2TOP1RAB9ALMNA
SCHEMBL28905909 0.92 MT-CO2 (0.88) MT-CO2PTGS2TOP1RAB9ALMNA
SCHEMBL31606997 0.91 MT-CO2 (0.84) MT-CO2PTGS2TOP1RAB9AMAPT
SCHEMBL31606999 0.91 MT-CO2 (0.84) MT-CO2PTGS2TOP1RAB9AMEN1
SCHEMBL31607024 0.90 MT-CO2 (0.82) MT-CO2PTGS2TOP1RAB9AMEN1
SCHEMBL31607054 0.90 MT-CO2 (0.82) MT-CO2PTGS2TOP1RAB9ALMNA
SCHEMBL31606960 0.90 MT-CO2 (0.81) MT-CO2PTGS2TOP1MAPK8MAPK9
SCHEMBL28905881 0.90 MT-CO2 (1.00) MT-CO2PTGS2TOP1RAB9ALMNA
SCHEMBL29940745 0.90 MT-CO2 (1.00) MT-CO2PTGS2TOP1RAB9ALMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115108931-B Tofenamic acid derivative and preparation and application thereof 南华大学附属第一医院 2024-06-14 CN disclosed
CN-115108931-A Tofenamic acid derivative and preparation and application thereof 南华大学附属第一医院 2022-09-27 CN disclosed