SCHEMBL135289

SCHEMBL135289

O=C(O)c1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CASP6 P55212 1/20 0.47
TSHR P16473 2/20 0.44
LMNA P02545 1/20 0.44
ALDH1A1 P00352 3/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
POLB P06746 2/20 0.44
KDM4E B2RXH2 1/20 0.44
TPMT P51580 1/20 0.43
VCAM1 P19320 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
GPR35 Q9HC97 1/20 0.41
HCAR3 P49019 2/20 0.41
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
Methylamine SCHEMBL11877019 0.96 TSHR (0.44) CASP6TSHRLMNAALDH1A1MEN1
SCHEMBL31108456 0.86 ALDH1A1 (0.57) CASP6TSHRLMNAALDH1A1MEN1
SCHEMBL7826598 0.86 VCAM1 (0.49) CASP6TSHRLMNAALDH1A1MEN1
SCHEMBL573259 0.86 ALDH1A1 (0.57) CASP6TSHRLMNAALDH1A1MEN1
SCHEMBL16581044 0.83 CASP6 (0.46) CASP6TSHRLMNAALDH1A1MEN1
SCHEMBL3146159 0.83 CASP6 (0.60) CASP6TSHRLMNAALDH1A1MEN1
SCHEMBL573520 0.82 HCAR3 (0.47) CASP6TSHRLMNAALDH1A1MEN1
SCHEMBL11847710 0.82 HCAR3 (0.47) CASP6TSHRLMNAALDH1A1MEN1
SCHEMBL11389391 0.82 VCAM1 (0.56) LMNAALDH1A1MEN1KMT2APOLB
Hydrochloric Acid SCHEMBL10571715 0.81 CASP6 (0.58) CASP6TSHRLMNAALDH1A1MEN1

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 94 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024163315-A2 DERIVATIZED COLLAGEN-HYALURONIC ACID BASED IMPLANTS FOR SUSTAINED DELIVERY OF OPHTHALMIC DRUGS DEVORE DALE (US) 2024-08-08 WO claimed
US-20240252446-A1 DERIVATIZED COLLAGEN-HYALURONIC ACID BASED IMPLANTS FOR SUSTAINED DELIVERY OF OPHTHALMIC DRUGS SUSTAINED DRUG DELIVERY LLC 2024-08-01 US claimed
CN-115677544-A Preparation method of bumetanide 中科苏州药物研究院 2023-02-03 CN claimed
CN-112175452-B Motorcycle brake pedal and processing technology thereof 温州国微科技有限公司 2022-05-06 CN claimed
CN-112175452-A Motorcycle brake pedal and processing technology thereof 温州国微科技有限公司 2021-01-05 CN claimed
US-20180153787-A1 METHODS AND ARTICLES OF MANUFACTURE FOR THE TREATMENT OF SKIN Advanced Collagen Science LLC 2018-06-07 US claimed
WO-2025215115-A1 COMPOUNDS FOR USE THE TREATMENT OF CANCER, NEURODEGENERATIVE DISEASES, PSYCHIATRIC DISORDERS, INFLAMMATION, EPILEPSY AND SEIZURES B&A ONCOMEDICAL (FR) 2025-10-16 WO disclosed
EP-4601744-A1 NEW COMPOUNDS, PROCESSES FOR PREPARING THE SAME AND THEIR USE AS DRUGS B&A Oncomedical (FR) 2025-08-20 EP disclosed
WO-2024163315-A2 DERIVATIZED COLLAGEN-HYALURONIC ACID BASED IMPLANTS FOR SUSTAINED DELIVERY OF OPHTHALMIC DRUGS DEVORE DALE (US) 2024-08-08 WO disclosed
US-20240252446-A1 DERIVATIZED COLLAGEN-HYALURONIC ACID BASED IMPLANTS FOR SUSTAINED DELIVERY OF OPHTHALMIC DRUGS SUSTAINED DRUG DELIVERY LLC 2024-08-01 US disclosed
WO-2024079128-A1 NEW COMPOUNDS, PROCESSES FOR PREPARING THE SAME AND THEIR USE AS DRUGS B&A ONCOMEDICAL (FR) 2024-04-18 WO disclosed
CN-117567326-A Preparation method of bumetanide 山东诺明康药物研究院有限公司 2024-02-20 CN disclosed
CN-117342987-A Preparation method of bumetanide 济南诺博汀精细化工有限公司 2024-01-05 CN disclosed
EP-0008367-A1 N-Arylsulfonyl pyrroles, their preparation and medicaments containing them BASF Aktiengesellschaft (DE) 1980-03-05 EP disclosed
US-3992440-A DIURETICS CIBA-GEIGY CORPORATION (US) 1976-11-16 US disclosed
US-3985777-A Sulphamyl-benzoic acid derivatives LOVENS KEMISKE FABRIK PRODUKTIONSAKTIESELSKAB (DK) 1976-10-12 US disclosed
US-3982018-A DIURETICS CIBA-GEIGY CORPORATION (US) 1976-09-21 US disclosed
US-3953476-A DIURETICS MERCK & CO., INC. (US) 1976-04-27 US disclosed
US-3939267-A DIURETIC CIBA-GEIGY CORPORATION (US) 1976-02-17 US disclosed
US-3933906-A DIURETIC CIBA-GEIGY CORPORATION (US) 1976-01-20 US disclosed