SCHEMBL670267

SCHEMBL670267

CCCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.64
LOXL2 Q9Y4K0 1/20 0.57
KCNH2 Q12809 3/20 0.57
MAPT P10636 1/20 0.57
KCNJ1 P48048 2/20 0.56
HRH3 Q9Y5N1 1/20 0.53
NPBWR1 P48145 1/20 0.52
ACHE P22303 1/20 0.52
HSD17B10 Q99714 1/20 0.52
IDO1 P14902 2/20 0.52
ABCG2 Q9UNQ0 2/20 0.51
ALDH1A1 P00352 1/20 0.50
CYP2C19 P33261 1/20 0.50
POLB P06746 1/20 0.50

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
Ammonia Solution, Strong SCHEMBL18045579 0.98 TSHR (0.62) TSHRLOXL2KCNH2MAPTKCNJ1
Methylamine SCHEMBL9736489 0.96 TSHR (0.60) TSHRLOXL2KCNH2MAPTKCNJ1
SCHEMBL28789835 0.89 MAPT (0.61) TSHRLOXL2KCNH2MAPTKCNJ1
SCHEMBL27734100 0.89 HSPB1 (0.56) TSHRKCNH2MAPTKCNJ1ACHE
SCHEMBL4737258 0.88 KCNH2 (0.67) TSHRLOXL2KCNH2MAPTKCNJ1
SCHEMBL13719703 0.88 SRD5A2 (0.59) TSHRKCNH2MAPTKCNJ1ABCG2
SCHEMBL3292782 0.86 TSHR (0.75) TSHRLOXL2KCNH2KCNJ1HRH3
SCHEMBL680595 0.86 KCNH2 (0.74) TSHRLOXL2KCNH2MAPTKCNJ1
Ammonia Solution, Strong SCHEMBL18045530 0.86 KCNH2 (0.65) TSHRLOXL2KCNH2MAPTKCNJ1
SCHEMBL25174460 0.84 KCNH2 (0.77) TSHRLOXL2KCNH2MAPTKCNJ1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106995374-B Method for preparing nitroaromatic acid/nitro alpha-aryl alcohol by oxidizing substituted alkyl nitrobenzene with oxygen 浙江工业大学 2019-11-29 CN claimed
CN-106995374-A Method for preparing nitroaromatic acid/nitro alpha-aryl alcohol by oxidizing substituted alkyl nitrobenzene with oxygen 浙江工业大学 2017-08-01 CN claimed
US-6255542-B1 RING CHLORINATING 4-NITROALKYLBENZENE WITH CHLORINE OR CHLORING-RELEASING AGENT IN A LIQUID PHASE AND IN THE PRESENCE OF A FRIEDEL-CRAFTS CATALYST AND A DIARYL SULFIDE CO-CATALYST BAYER AKTIENGESELLSCHAFT (DE) 2001-07-03 US claimed
CN-1286244-A Method for preparing 2-chloro-4-nitroalkylbenzene BAYER AG (DE) 2001-03-07 CN claimed
EP-1078914-A1 Process for the preparation of 2-chloro-4-nitroalkylbenzene BAYER AG (DE) 2001-02-28 EP claimed
EP-0922050-A1 3-DESCLADINOSE-2,3-ANHYDROERYTHROMYCIN DERIVATIVES ABBOTT LABORATORIES (US) 1999-06-16 EP claimed
WO-1997042205-A1 3-DESCLADINOSE-2,3-ANHYDROERYTHROMYCIN DERIVATIVES ABBOTT LABORATORIES (US) 1997-11-13 WO claimed
EP-4578864-A1 TRITYL-BASED ALCOHOL PROTECTING GROUP SynCrest Inc. (JP) 2025-07-02 EP disclosed
CN-119524841-A Method for preparing nitroso aromatic hydrocarbon, N-hydroxy aromatic amine and aromatic amine from nitroaromatic hydrocarbon 嘉庚创新实验室 2025-02-28 CN disclosed
EP-4455117-A1 AMINE-PROTECTING GROUP SynCrest Inc. (JP) 2024-10-30 EP disclosed
CN-118434707-A Amine protecting groups 新魁特株式会社 2024-08-02 CN disclosed
US-20240231230-A1 COMPOSITION FOR FORMING SILICON-CONTAINING RESIST UNDERLAYER FILM NISSAN CHEMICAL CORPORATION (JP) 2024-07-11 US disclosed
CN-117427635-A Metal nano-particles loaded by reductive carrier and application thereof in preparation of azo aromatic hydrocarbon 嘉庚创新实验室 2024-01-23 CN disclosed
US-5095157-A Friedel-crafts catalyst BAYER AKTIENGESELLSCHAFT (DE) 1992-03-10 US disclosed
EP-0411150-A1 INDOLE DERIVATIVES, PREPARATION THEREOF, AND DRUG FOR PREVENTING AND TREATING NEPHRITIS CONTAINING SAME OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-02-06 EP disclosed
EP-0399293-A1 Process for preparing 2-chloro-4-nitro-alkylbenzene BAYER AG (DE) 1990-11-28 EP disclosed
US-4562280-A WITH CHLOROMETHYL ALKYL ETHER IN PRESENCE OF CATALYIC FERRIC OR STANNIC CHLORIDE THE DOW CHEMICAL COMPANY (US) 1985-12-31 US disclosed
EP-0103990-A1 Process for making diarylamines UNIROYAL, INC. (US) 1984-03-28 EP disclosed
US-4431841-A REACTING PRIMARY AROMATIC AMINES AND ALICYCLIC KETONES USING AN ACID PROMOTER AND A PLATINUM CATALYST UNIROYAL, INC. (US) 1984-02-14 US disclosed
US-4051168-A TO FORM FLUOROALKYL AROMATIC COMPOUNDS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1977-09-27 US disclosed