SCHEMBL29941121

SCHEMBL29941121

Cc1c(Cl)cccc1Nc1ccccc1C(=O)Nc1ccc(N2CCN(c3ccccc3)CC2)cc1

nearest known ligand 0.88

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MT-CO2 P00403 11/20 0.88
PTGS2 P35354 4/20 0.66
TOP1 P11387 3/20 0.66
MAPT P10636 3/20 0.58
RAB9A P51151 3/20 0.58
LMNA P02545 2/20 0.58
MAPK1 P28482 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
USP2 O75604 1/20 0.57
TTR P02766 1/20 0.57
PLA2G1B P04054 1/20 0.57
CYP1A2 P05177 1/20 0.57
PGR P06401 1/20 0.57
CYP3A4 P08684 1/20 0.57
HTR1A P08908 1/20 0.57
ADRA2A P08913 1/20 0.57

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
SCHEMBL28905909 1.00 MT-CO2 (0.88) MT-CO2PTGS2TOP1MAPTRAB9A
SCHEMBL29940745 0.94 MT-CO2 (1.00) MT-CO2PTGS2TOP1MAPTRAB9A
SCHEMBL28905881 0.94 MT-CO2 (1.00) MT-CO2PTGS2TOP1MAPTRAB9A
SCHEMBL28905897 0.92 MT-CO2 (1.00) MT-CO2PTGS2TOP1MAPTRAB9A
SCHEMBL29940404 0.92 MT-CO2 (1.00) MT-CO2PTGS2TOP1MAPTRAB9A
SCHEMBL28905908 0.92 MT-CO2 (1.00) MT-CO2PTGS2TOP1MAPTRAB9A
SCHEMBL29940391 0.92 MT-CO2 (1.00) MT-CO2PTGS2TOP1MAPTRAB9A
SCHEMBL28905891 0.92 MT-CO2 (0.81) MT-CO2PTGS2TOP1MAPTRAB9A
SCHEMBL29940865 0.91 MT-CO2 (1.00) MT-CO2PTGS2TOP1MAPTRAB9A
SCHEMBL28905888 0.91 MT-CO2 (1.00) MT-CO2PTGS2TOP1MAPTRAB9A

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-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