SCHEMBL29940382

SCHEMBL29940382

CCCN1CCN(c2ccc(NC(=O)c3ccccc3Nc3cccc(Cl)c3C)cc2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MT-CO2 P00403 10/20 1.00
PTGS2 P35354 3/20 0.58
TOP1 P11387 3/20 0.58
RAB9A P51151 2/20 0.51
LMNA P02545 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
MAPT P10636 1/20 0.51
MAPK1 P28482 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
MEN1 O00255 1/20 0.50
NPC1 O15118 1/20 0.50
KMT2A Q03164 1/20 0.50
EGFR P00533 1/20 0.50
CREBBP Q92793 1/20 0.50

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
SCHEMBL28905895 1.00 MT-CO2 (1.00) MT-CO2PTGS2TOP1RAB9ALMNA
SCHEMBL29940792 0.94 MT-CO2 (1.00) MT-CO2PTGS2TOP1RAB9ALMNA
SCHEMBL28905899 0.94 MT-CO2 (1.00) MT-CO2PTGS2TOP1RAB9ALMNA
SCHEMBL28905878 0.92 MT-CO2 (1.00) MT-CO2PTGS2TOP1RAB9ALMNA
SCHEMBL29940865 0.92 MT-CO2 (1.00) MT-CO2PTGS2TOP1RAB9ALMNA
SCHEMBL29940745 0.89 MT-CO2 (1.00) MT-CO2PTGS2TOP1RAB9ALMNA
SCHEMBL28905881 0.89 MT-CO2 (1.00) MT-CO2PTGS2TOP1RAB9ALMNA
SCHEMBL29941121 0.89 MT-CO2 (0.88) MT-CO2PTGS2TOP1RAB9ALMNA
SCHEMBL28905909 0.89 MT-CO2 (0.88) MT-CO2PTGS2TOP1RAB9ALMNA
SCHEMBL28905891 0.85 MT-CO2 (0.81) 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 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