SCHEMBL266593

SCHEMBL266593

Nc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.76
CYP3A4 P08684 2/20 0.76
LMNA P02545 1/20 0.66
TDP1 Q9NUW8 5/20 0.61
GPR35 Q9HC97 5/20 0.61
KMT2A Q03164 3/20 0.54
POLB P06746 2/20 0.54
MEN1 O00255 2/20 0.54
MAPT P10636 2/20 0.54
ALOX15 P16050 2/20 0.54
HPGD P15428 2/20 0.54
MAPK1 P28482 2/20 0.54
HIF1A Q16665 2/20 0.54
HTT P42858 2/20 0.54
KDM4E B2RXH2 1/20 0.54
TTR P02766 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2C9 P11712 1/20 0.54
ALOX12 P18054 1/20 0.54
RECQL P46063 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
SCHEMBL5556376 0.89 ALDH1A1 (0.68) ALDH1A1CYP3A4LMNATDP1GPR35
Methylnitramide SCHEMBL3303092 0.88 ALDH1A1 (0.61) ALDH1A1CYP3A4LMNATDP1GPR35
SCHEMBL29448460 0.87 ALDH1A1 (1.00) ALDH1A1CYP3A4LMNATDP1GPR35
SCHEMBL909587 0.87 ALDH1A1 (1.00) ALDH1A1CYP3A4LMNATDP1GPR35
SCHEMBL6672266 0.85 ALDH1A1 (0.63) ALDH1A1CYP3A4LMNATDP1GPR35
SCHEMBL7032612 0.85 ALDH1A1 (0.63) ALDH1A1CYP3A4LMNATDP1GPR35
SCHEMBL9751253 0.85 ALDH1A1 (0.63) ALDH1A1CYP3A4LMNATDP1GPR35
SCHEMBL1501666 0.85 ALDH1A1 (0.77) ALDH1A1CYP3A4LMNATDP1GPR35
Bromide SCHEMBL29483842 0.85 ALDH1A1 (0.96) ALDH1A1CYP3A4LMNATDP1GPR35
SCHEMBL8449685 0.85 ALDH1A1 (0.66) ALDH1A1CYP3A4LMNATDP1GPR35

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 1062 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113563246-B Substituted aza five-membered ring derivative and application thereof in medicines 广东东阳光药业股份有限公司 2025-01-17 CN claimed
CN-113563244-B Substituted aza five-membered ring compound and application thereof in medicine 广东东阳光药业股份有限公司 2025-01-10 CN claimed
CN-113563245-B Substituted pyrrolidines and their use in medicine 广东东阳光药业股份有限公司 2024-10-15 CN claimed
CN-117504071-A dry powder inhaler 奇斯药制品公司 2024-02-06 CN claimed
CN-112707873-B Substituted oxazole derivative and application thereof in medicines 广东东阳光药业股份有限公司 2023-12-08 CN claimed
CN-114621527-A Antistatic wear-resistant plastic for vehicles and preparation method thereof 杨连玉 2022-06-14 CN claimed
CN-109251115-B Energetic functionalized graphene oxide and preparation method thereof 浙江工业大学 2021-10-15 CN claimed
US-20210157242-A1 PHOTORESIST-REMOVING LIQUID AND PHOTORESIST-REMOVING METHOD HUAYING RESEARCH CO., LTD (CN) 2021-05-27 US claimed
EP-3663857-A1 PHOTORESIST STRIPPING SOLUTION AND METHOD OF STRIPPING PHOTORESIST Huaying Research Co., Ltd (CN) 2020-06-10 EP claimed
CN-110669058-A Tricyclic quinolone carboxylic acid and preparation method thereof 江西农业大学 2020-01-10 CN claimed
US-5177221-A Chromogenic hemispherands and their preparation MILES INC. (US) 1993-01-05 US claimed
US-5011924-A Measurement Of Ions TECHNICON INSTRUMENTS CORPORATION (US) 1991-04-30 US claimed
US-4992381-A Method of detecting electrolytes in an aqueous test sample using chromogenic hemispherands and test device therefor TECHNICON INSTRUMENTS CORPORATION (US) 1991-02-12 US claimed
US-4859606-A Method for detecting cations in a test sample utilizing chromogenic cryptahemispherands TECHNICON INSTRUMENTS CORPORATION (US) 1989-08-22 US claimed
EP-0287329-A2 Chromogenic cryptahemispherands useful in detecting electrolytes Bayer Corporation (US) 1988-10-19 EP claimed
EP-0076709-B1 SANDWICH GLASS BRIDGESTONE TIRE COMPANY LIMITED (JP) 1987-04-08 EP claimed
US-4511627-A CROSSLINKED ETHYLENE-VINYL ACETATE COPOLYMER BRIDGESTONE TIRE COMPANY LIMITED (JP) 1985-04-16 US claimed
EP-0076709-A1 Sandwich glass BRIDGESTONE TIRE COMPANY LIMITED (JP) 1983-04-13 EP claimed
US-4361450-A Plastic bonded explosive compositions THIOKOL CORPORATION (US) 1982-11-30 US claimed
US-4180404-A Heat resistant photoresist composition and process for preparing the same ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1979-12-25 US claimed