SCHEMBL29403245

SCHEMBL29403245

CCCc1cccc(N)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.65
MAOB P27338 2/20 0.65
CYP19A1 P11511 1/20 0.63
CYP3A4 P08684 2/20 0.48
CASP1 P29466 1/20 0.48
RECQL P46063 1/20 0.48
KIF11 P52732 1/20 0.46
TP53 P04637 1/20 0.45
SIGMAR1 Q99720 3/20 0.45
TSHR P16473 1/20 0.43
MAPT P10636 2/20 0.42
GRIN2D O15399 1/20 0.42
GRIN3B O60391 1/20 0.42
GRIN1 Q05586 1/20 0.42
GRIN2A Q12879 1/20 0.42
GRIN2B Q13224 1/20 0.42
GRIN2C Q14957 1/20 0.42
GRIN3A Q8TCU5 1/20 0.42
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42

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
SCHEMBL379137 1.00 MAOA (0.65) MAOAMAOBCYP19A1CYP3A4CASP1
Hydrochloric Acid SCHEMBL2423772 0.98 MAOA (0.67) MAOAMAOBCYP19A1CYP3A4CASP1
Cyanide SCHEMBL27806412 0.94 MAOA (0.59) MAOAMAOBCYP19A1CYP3A4CASP1
Benzidine SCHEMBL29250373 0.90 CYP19A1 (0.63) MAOAMAOBCYP19A1CYP3A4KIF11
Benzenethiol SCHEMBL27943319 0.87 MAOB (0.61) MAOAMAOBCYP19A1KIF11SIGMAR1
SCHEMBL957394 0.87 MAOA (0.61) MAOAMAOBCYP19A1CYP3A4CASP1
SCHEMBL3038687 0.87 MAOA (0.61) MAOAMAOBCYP19A1CYP3A4CASP1
Formic Acid Methyl Ester SCHEMBL28280176 0.86 MAOA (0.50) MAOAMAOBCYP19A1CYP3A4KIF11
SCHEMBL29436994 0.85 MAOB (0.86) MAOAMAOBCYP19A1CYP3A4CASP1
SCHEMBL2154372 0.85 MAOB (0.86) MAOAMAOBCYP19A1CYP3A4CASP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3821238-B1 CHROMATOGRAPHIC SYSTEM AND METHOD FOR TRAP-ELUTE MIXED MODE CHROMATOGRAPHY WATERS TECHNOLOGIES CORP (US) 2022-08-31 EP claimed
EP-4731689-A1 METHOD FOR THE PRODUCTION OF THERMOPLASTIC POLYOXAZOLIDINONE Covestro Deutschland AG (DE) 2026-04-29 EP disclosed
WO-2024260858-A1 METHOD FOR THE PRODUCTION OF THERMOPLASTIC POLYOXAZOLIDINONE COVESTRO DEUTSCHLAND AG (DE) 2024-12-26 WO disclosed
EP-4448605-A1 PROCESS FOR THE PRODUCTION OF A THERMOPLASTIC POLYOXAZOLIDINONE Covestro Deutschland AG (DE) 2024-10-23 EP disclosed
EP-4255947-A1 METHOD FOR THE PRODUCTION OF THERMOPLASTIC POLYOXAZOLIDINONE POLYMERS Covestro Deutschland AG (DE) 2023-10-11 EP disclosed
EP-4210883-A1 INVESTMENT CASTING COMPOSITIONS AND METHODS 3M Innovative Properties Company (US) 2023-07-19 EP disclosed
EP-4200353-A1 METHOD FOR THE PRODUCTION OF A THERMOPLASTIC POLYOXAZOLIDINONE Covestro Deutschland AG (DE) 2023-06-28 EP disclosed
EP-4200351-A1 METHOD FOR THE PRODUCTION OF A THERMOPLASTIC POLYOXAZOLIDINONE Covestro Deutschland AG (DE) 2023-06-28 EP disclosed
EP-4200352-A1 METHOD FOR THE PRODUCTION OF A THERMOPLASTIC POLYOXAZOLIDINONE Covestro Deutschland AG (DE) 2023-06-28 EP disclosed
WO-2023110515-A1 PROCESS FOR THE PRODUCTION OF A THERMOPLASTIC POLYOXAZOLIDINONE COVESTRO DEUTSCHLAND AG (DE) 2023-06-22 WO disclosed
EP-4027353-A1 CONDUCTIVE MATERIAL AND SUBSTRATE Shin-Etsu Chemical Co., Ltd. (JP) 2022-07-13 EP disclosed
WO-2022117443-A1 METHOD FOR THE PRODUCTION OF THERMOPLASTIC POLYOXAZOLIDINONE POLYMERS COVESTRO DEUTSCHLAND AG (DE) 2022-06-09 WO disclosed
WO-2022053890-A1 INVESTMENT CASTING COMPOSITIONS AND METHODS 3M INNOVATIVE PROPERTIES COMPANY (US) 2022-03-17 WO disclosed
WO-2022043125-A1 METHOD FOR THE PRODUCTION OF A THERMOPLASTIC POLYOXAZOLIDINONE COVESTRO DEUTSCHLAND AG (DE) 2022-03-03 WO disclosed
WO-2022043127-A1 METHOD FOR THE PRODUCTION OF A THERMOPLASTIC POLYOXAZOLIDINONE COVESTRO DEUTSCHLAND AG (DE) 2022-03-03 WO disclosed
WO-2022043126-A1 METHOD FOR THE PRODUCTION OF A THERMOPLASTIC POLYOXAZOLIDINONE COVESTRO DEUTSCHLAND AG (DE) 2022-03-03 WO disclosed