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SCHEMBL29940404

SCHEMBL29940404

CC(=O)N1CCN(c2ccc(NC(=O)c3ccccc3Nc3cccc(Cl)c3C)cc2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MT-CO2 P00403 10/20 1.00
▸ PTGS2 P35354 3/20 0.61
▸ TOP1 P11387 2/20 0.61
▸ LMNA P02545 1/20 0.59
▸ MAPT P10636 1/20 0.59
▸ NPC1 O15118 3/20 0.56
▸ RAB9A P51151 2/20 0.56
▸ KMT2A Q03164 1/20 0.56
▸ L3MBTL1 Q9Y468 1/20 0.56
▸ PKM P14618 1/20 0.54

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
SCHEMBL28905897 1.00 MT-CO2 (1.00) MT-CO2PTGS2TOP1LMNAMAPT
SCHEMBL29941121 0.92 MT-CO2 (0.88) MT-CO2PTGS2TOP1LMNAMAPT
SCHEMBL28905909 0.92 MT-CO2 (0.88) MT-CO2PTGS2TOP1LMNAMAPT
SCHEMBL28905881 0.90 MT-CO2 (1.00) MT-CO2PTGS2TOP1LMNAMAPT
SCHEMBL29940745 0.90 MT-CO2 (1.00) MT-CO2PTGS2TOP1LMNAMAPT
SCHEMBL28905908 0.88 MT-CO2 (1.00) MT-CO2PTGS2TOP1LMNAMAPT
SCHEMBL28905891 0.88 MT-CO2 (0.81) MT-CO2PTGS2TOP1LMNAMAPT
SCHEMBL29940391 0.88 MT-CO2 (1.00) MT-CO2PTGS2TOP1LMNAMAPT
SCHEMBL29940865 0.87 MT-CO2 (1.00) MT-CO2PTGS2TOP1LMNAMAPT
SCHEMBL29940502 0.87 MT-CO2 (1.00) MT-CO2PTGS2TOP1LMNAMAPT

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