SCHEMBL222283

SCHEMBL222283

COc1cc([N+](=O)[O-])ccc1N

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 1.00
TDP1 Q9NUW8 4/20 0.77
ALDH1A1 P00352 5/20 0.58
CYP3A4 P08684 4/20 0.58
MAPT P10636 1/20 0.57
RECQL P46063 1/20 0.57
DUSP3 P51452 1/20 0.57
PTPN5 P54829 1/20 0.57
PTPN11 Q06124 1/20 0.57
TSHR P16473 2/20 0.56
PKM P14618 1/20 0.55
HSD17B10 Q99714 1/20 0.53
LMNA P02545 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
GAA P10253 1/20 0.52
THRB P10828 1/20 0.52
PTGS2 P35354 2/20 0.50
CYP19A1 P11511 1/20 0.50
KMT2A Q03164 1/20 0.49
GLA P06280 1/20 0.48

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
SCHEMBL31297153 0.98 HTT (0.96) HTTTDP1ALDH1A1CYP3A4MAPT
Nitrogen SCHEMBL18840092 0.96 HTT (0.93) HTTTDP1ALDH1A1CYP3A4MAPT
Aniline SCHEMBL22169221 0.90 HTT (0.81) HTTTDP1ALDH1A1CYP3A4MAPT
SCHEMBL3462835 0.87 TDP1 (1.00) HTTTDP1ALDH1A1CYP3A4MAPT
SCHEMBL269845 0.87 TDP1 (1.00) HTTTDP1ALDH1A1CYP3A4MAPT
Ammonia Solution, Strong SCHEMBL10880861 0.85 TDP1 (0.96) HTTTDP1ALDH1A1CYP3A4MAPT
Hydrochloric Acid SCHEMBL21772081 0.85 TDP1 (0.96) HTTTDP1ALDH1A1CYP3A4MAPT
SCHEMBL10939518 0.84 HTT (0.72) HTTTDP1ALDH1A1CYP3A4MAPT
SCHEMBL15906146 0.84 HTT (0.72) HTTTDP1ALDH1A1CYP3A4MAPT
SCHEMBL527567 0.84 HTT (0.72) HTTTDP1ALDH1A1CYP3A4MAPT

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 1413 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116969897-A Sulfonamide compound, preparation method and application thereof, and pharmaceutical composition 北京大学 2023-10-31 CN claimed
CN-116136001-A Carboxylic acid extractant and method for separating impurity aluminum ions from rare earth feed liquid by using same 厦门稀土材料研究所 2023-05-19 CN claimed
CN-113185417-B Red base B separation process 山东师范大学实验厂有限公司 2022-12-20 CN claimed
CN-111740054-B Power electronic equipment sealed cabin system of directional accuse temperature 中国科学院电工研究所 2022-07-22 CN claimed
CN-112662195-B Storage-stable organic yellow pigment and preparation method thereof 杭州百合科莱恩颜料有限公司 2022-05-31 CN claimed
CN-109971211-B Pigment composition 山阳色素株式会社 2021-11-30 CN claimed
CN-113185417-A Red base B separation process 山东师范大学实验厂 2021-07-30 CN claimed
CN-112662195-A Storage-stable organic yellow pigment and preparation method thereof 杭州百合科莱恩颜料有限公司 2021-04-16 CN claimed
CN-112500310-A Preparation method of 2-methoxy-4, 4' -dinitro-benzoyl aniline 上海应用技术大学 2021-03-16 CN claimed
CN-109912994-B Composite pearlescent pigment and preparation method and application thereof 福建坤彩材料科技股份有限公司 2020-07-03 CN claimed
EP-0058296-B1 METHOD OF CONTROLLING BATCHWISE CONDUCTED DIAZOTIZATION REACTIONS HOECHST AKTIENGESELLSCHAFT (DE) 1985-03-27 EP claimed
EP-0103628-A4 STABILIZATION OF DIAZONIUM SALT SOLUTIONS. BABSON ARTHUR 1984-09-19 EP claimed
EP-0103628-A1 STABILIZATION OF DIAZONIUM SALT SOLUTIONS BABSON, Arthur (US) 1984-03-28 EP claimed
WO-1983003254-A1 STABILIZATION OF DIAZONIUM SALT SOLUTIONS BABSON, ARTHUR 1983-09-29 WO claimed
US-4288362-A Monoazo pigments containing a quinazo linonylacetoacetanilide coupling component BAYER AKTIENGESELLSCHAFT (DE) 1981-09-08 US claimed
US-4246171-A Continuous diazotization process, wherein the rate of addition of inorganic nitrite is automatically controlled by polarovoltric means CIBA-GEIGY CORPORATION (US) 1981-01-20 US claimed
EP-0021598-A1 A kinetic method for directly determining total bilirubin BECKMAN INSTRUMENTS, INC. (US) 1981-01-07 EP claimed
US-4204871-A Printing inks containing nucleated organic pigments SUN CHEMICAL CORPORATION (US) 1980-05-27 US claimed
US-3991044-A Process for improving lightfastness of an azo pigment by heat treatment HERCULES INCORPORATED (US) 1976-11-09 US claimed
US-3941768-A One step diazotization coupling process CIBA-GEIGY AG (CH) 1976-03-02 US claimed