SCHEMBL334808

SCHEMBL334808

Nc1nc2ccc([N+](=O)[O-])cc2s1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 1.00
TDP1 Q9NUW8 2/20 1.00
CYP3A4 P08684 1/20 1.00
TSHR P16473 1/20 1.00
HTT P42858 2/20 0.67
SMN1; SMN2 Q16637 1/20 0.67
PDK1 Q15118 1/20 0.65
CA2 P00918 1/20 0.64
CA5A P35218 1/20 0.64
ILK Q13418 1/20 0.58
RAB9A P51151 2/20 0.57
NPC1 O15118 1/20 0.57
APOBEC3A P31941 1/20 0.57
APOBEC3G Q9HC16 1/20 0.57
KMT2A Q03164 4/20 0.57
PKM P14618 2/20 0.57
KDM4E B2RXH2 1/20 0.57
LMNA P02545 1/20 0.57
HPGD P15428 1/20 0.57
HSD17B10 Q99714 1/20 0.57

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
Nitrogen SCHEMBL28651597 0.97 ALDH1A1 (0.94) ALDH1A1TDP1CYP3A4TSHRHTT
SCHEMBL5049722 0.93 ALDH1A1 (0.86) ALDH1A1TDP1CYP3A4TSHRHTT
Sulfuric Acid SCHEMBL28206216 0.93 ALDH1A1 (0.86) ALDH1A1TDP1CYP3A4TSHRHTT
SCHEMBL31219335 0.87 ALDH1A1 (0.77) ALDH1A1TDP1CYP3A4TSHRHTT
SCHEMBL482233 0.87 ALDH1A1 (0.77) ALDH1A1TDP1CYP3A4TSHRHTT
SCHEMBL2172967 0.87 SMN1; SMN2 (0.75) ALDH1A1TDP1CYP3A4TSHRHTT
Hydrochlorthiazide SCHEMBL9107766 0.87 ALDH1A1 (0.75) ALDH1A1TDP1CYP3A4TSHRHTT
SCHEMBL8136089 0.84 ALDH1A1 (0.71) ALDH1A1TDP1CYP3A4TSHRHTT
SCHEMBL2918453 0.84 ALDH1A1 (0.72) ALDH1A1TDP1CYP3A4TSHRHTT
SCHEMBL5343556 0.84 CYP3A4 (0.72) ALDH1A1TDP1CYP3A4TSHRHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119752213-A Preparation method of red disperse dye and red dye filter cake 宁夏宁泰科技有限公司 2025-04-04 CN claimed
CN-117050552-B Synthetic method and synthetic equipment of structural disperse dye 浙江大恒新材料有限公司 2025-01-28 CN claimed
CN-113683901-B Benzothiazole heterocycle azo type water-soluble dye and preparation method thereof 青岛理工大学 2024-03-26 CN claimed
CN-117209448-A Process for the preparation of (benzo) thiazole-containing thio/selenoacetamides and derivatives thereof 济宁医学院 2023-12-12 CN claimed
CN-117126119-A Preparation method of (benzo) thiazole amide-containing compound 济宁医学院 2023-11-28 CN claimed
CN-117050552-A Synthetic method and synthetic equipment of structural disperse dye 浙江大恒新材料有限公司 2023-11-14 CN claimed
CN-116694103-A Disperse dye with azobenzothiazole structure, and preparation method and application thereof 大连工业大学 2023-09-05 CN claimed
CN-116694102-A Azo-type disperse dye with N, N-diethyl-6-aminobenzothiazole structure, and preparation method and application thereof 大连工业大学 2023-09-05 CN claimed
CN-113683901-A Benzothiazole heterocyclic azo type water-soluble dye and preparation method thereof 青岛理工大学 2021-11-23 CN claimed
CN-113264950-A Method for synthesizing benzothiazole [2, 3-b ] quinazoline-7, 12-diketone by catalysis of sulfonated-beta-cyclodextrin 南阳理工学院 2021-08-17 CN claimed
US-4826860-A STROKES WARNER-LAMBERT COMPANY (US) 1989-05-02 US claimed
EP-0282971-A2 Substituted 2-aminobenzothiazoles and derivatives useful as cerebrovascular agents WARNER-LAMBERT COMPANY (US) 1988-09-21 EP claimed
EP-0127133-B1 PROCESS FOR THE PREPARATION OF 2-ACETYLAMINO-6-NITRO-BENZOTHIAZOLE AND 2-AMINO-6-NITRO-BENZOTHIAZOLE HOECHST AKTIENGESELLSCHAFT (DE) 1988-03-16 EP claimed
EP-0127133-A2 Process for the preparation of 2-acetylamino-6-nitro-benzothiazole and 2-amino-6-nitro-benzothiazole HOECHST AKTIENGESELLSCHAFT (DE) 1984-12-05 EP claimed
US-4447617-A Process for the preparation of 2-amino-6-nitrobenzothiazole EASTMAN KODAK COMPANY (US) 1984-05-08 US claimed
EP-0039835-B1 PROCESS FOR THE PREPARATION OF 2-AMINO-6-NITRO-BENZOTHIAZOLE BAYER AG (DE) 1983-03-09 EP claimed
US-4369324-A Process for the preparation of 2-amino-6-nitrobenzothiazole BAYER AKTIENGESELLSCHAFT (DE) 1983-01-18 US claimed
US-4363913-A Preparation of 2-aminobenzothiazoles EASTMAN KODAK COMPANY (US) 1982-12-14 US claimed
US-4346014-A INCLUSION OF NITRO COMPOUND IN ROLLING OIL PENNWALT CORPORATION (US) 1982-08-24 US claimed
EP-0039835-A1 Process for the preparation of 2-amino-6-nitro-benzothiazole BAYER AG (DE) 1981-11-18 EP claimed