SCHEMBL29543726

SCHEMBL29543726

[2H]C1C(=O)NOc2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.35
MAOB P27338 3/20 0.35
AHR P35869 1/20 0.35
PDK2 Q15119 1/20 0.35
NPC1 O15118 1/20 0.34
MAPK13 O15264 1/20 0.34
MAPK12 P53778 1/20 0.34
MAPK11 Q15759 1/20 0.34
MAPK14 Q16539 1/20 0.34
OXTR P30559 1/20 0.34
CYP1A2 P05177 1/20 0.33
TDP2 O95551 1/20 0.33
CASP3 P42574 1/20 0.33
CASP7 P55210 1/20 0.33
CASP9 P55211 1/20 0.33
CASP6 P55212 1/20 0.33
CASP8 Q14790 1/20 0.33
MAP3K14 Q99558 1/20 0.33
GAA P10253 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL29408741 0.79 MAOA (0.48) MAOAMAOBAHRPDK2NPC1
SCHEMBL6937 0.79 MAOA (0.48) MAOAMAOBAHRPDK2NPC1
SCHEMBL16013221 0.78 NPC1 (0.48) MAOAMAOBAHRPDK2NPC1
SCHEMBL2919635 0.78 MAOA (0.46) MAOAMAOBAHRPDK2NPC1
Hydrochloric Acid SCHEMBL5625931 0.78 MAOA (0.46) MAOAMAOBAHRPDK2NPC1
Carbamic Acid SCHEMBL15477883 0.71 MAOA (0.39) MAOAMAOBAHRPDK2CYP1A2
Piperidine SCHEMBL11313946 0.71 MAOA (0.39) MAOAMAOBAHRPDK2OXTR
Phenol SCHEMBL5504361 0.71 MAOB (0.39) MAOAMAOBAHRPDK2NPC1
SCHEMBL9249507 0.71 MAOA (0.43) MAOAMAOBAHRPDK2NPC1
Isothiocyanate SCHEMBL9846811 0.71 MAOA (0.39) MAOAMAOBAHRPDK2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4320183-A1 FLAME RETARDANT POLYAMIDE COMPOSITIONS, USES OF SAME AND PROCESSES FOR THE PREPARATION THEREOF ARKEMA FRANCE (FR) 2024-02-14 EP disclosed
EP-4320184-A1 FLAME RETARDANT POLYAMIDE COMPOSITIONS, USES OF SAME AND PROCESSES FOR THE PREPARATION THEREOF ARKEMA FRANCE (FR) 2024-02-14 EP disclosed
EP-3131947-B1 THERMOPLASTIC COMPOSITION MADE FROM A POLYAMIDE POLYMER OBTAINED FROM A PREPOLYMER AND A CHAIN EXTENDER AND MANUFACTURING METHOD ARKEMA FRANCE (FR) 2024-01-31 EP disclosed
EP-3131946-B1 METHOD FOR MANUFACTURING A THERMOPLASTIC MATERIAL MADE FROM SEMI-CRYSTALLINE POLYAMIDE ARKEMA FRANCE (FR) 2023-11-22 EP disclosed
EP-3907247-B1 GLASS TRANSITION HIGH-TEMPERATURE SEMI-CRYSTALLINE POLYAMIDE COMPOSITION MADE OF NEAR-FIELD DIAMINE FOR THERMOPLASTIC MATERIAL, METHOD FOR MANUFACTURING SAME AND USES THEREOF ARKEMA FRANCE (FR) 2023-08-16 EP disclosed
EP-4159792-A1 SEMI-CRYSTALLINE POLYAMIDE COMPOSITION WITH A HIGH GLASS TRANSITION TEMPERATURE BASED ON SHORT DIAMINE FOR THERMOPLASTIC MATERIAL, METHOD FOR MAKING SAME AND USES THEREOF ARKEMA FRANCE (FR) 2023-04-05 EP disclosed
EP-3197938-B1 USE OF A BLOCK COPOLYMER FOR PROTECTING PARTS MADE FROM METAL ARKEMA FRANCE (FR) 2022-11-16 EP disclosed
WO-2022214754-A1 FLAME RETARDANT POLYAMIDE COMPOSITIONS, USES OF SAME AND PROCESSES FOR THE PREPARATION THEREOF ARKEMA FRANCE (FR) 2022-10-13 WO disclosed
WO-2022214755-A1 FLAME RETARDANT POLYAMIDE COMPOSITIONS, USES OF SAME AND PROCESSES FOR THE PREPARATION THEREOF ARKEMA FRANCE (FR) 2022-10-13 WO disclosed
EP-3997160-A1 METHOD FOR PREPARING AN IMPREGNATED FIBROUS MATERIAL BY REACTIVE PULTRUSION ARKEMA FRANCE (FR) 2022-05-18 EP disclosed