SCHEMBL487215

SCHEMBL487215

O=[N+]([O-])c1ccc(Cl)cc1Cl

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 1.00
MAPK1 P28482 2/20 1.00
TDP1 Q9NUW8 1/20 0.54
VCAM1 P19320 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
MMP1 P03956 1/20 0.53
MMP2 P08253 1/20 0.53
MMP9 P14780 1/20 0.53
MMP8 P22894 1/20 0.53
MMP13 P45452 1/20 0.53
LMNA P02545 1/20 0.53
POLB P06746 1/20 0.53
ALDH1A1 P00352 3/20 0.52
PDE7A Q13946 4/20 0.51
IDO1 P14902 1/20 0.50
F2 P00734 1/20 0.49
PRSS1 P07477 1/20 0.49
PRSS2 P07478 1/20 0.49
PRSS3 P35030 1/20 0.49

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
SCHEMBL29398960 1.00 TSHR (1.00) TSHRMAPK1TDP1VCAM1CA1
Fluoride SCHEMBL4646971 0.98 TSHR (0.96) TSHRMAPK1TDP1VCAM1CA1
SCHEMBL28605170 0.92 TSHR (0.85) TSHRMAPK1TDP1VCAM1CA1
Formic Acid SCHEMBL28203199 0.90 TSHR (0.81) TSHRMAPK1TDP1VCAM1CA1
Acetonitrile SCHEMBL28603177 0.89 TSHR (0.79) TSHRMAPK1TDP1VCAM1CA1
SCHEMBL5804418 0.89 TSHR (0.79) TSHRMAPK1TDP1VCAM1CA1
Tetrahydrothiophene SCHEMBL11517766 0.86 MAPK1 (0.73) TSHRMAPK1TDP1VCAM1CA1
SCHEMBL27600281 0.86 TSHR (0.73) TSHRMAPK1TDP1VCAM1CA1
SCHEMBL9488895 0.86 TSHR (0.73) TSHRMAPK1TDP1VCAM1LMNA
Phenol SCHEMBL28068488 0.86 MAPK1 (0.73) TSHRMAPK1TDP1VCAM1CA1

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 1258 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118239845-A Method for removing dinitro by-product and purifying 2, 4-dichloronitrobenzene crude product 云南云天化股份有限公司 2024-06-25 CN claimed
CN-118179542-A Carbon-based catalyst, and preparation method and application thereof 中国石油化工股份有限公司 2024-06-14 CN claimed
CN-220737508-U Preparation system of 2, 4-dichloronitrobenzene 山东金特安全科技有限公司 2024-04-09 CN claimed
CN-117447328-A Clean production method of oxyfluorfen 首建科技有限公司 2024-01-26 CN claimed
CN-117288860-A Analysis method of genotoxic impurities in flurbiprofen 湖南九典宏阳制药有限公司 2023-12-26 CN claimed
CN-117050524-A Wear-resistant amphiphobic polyphenylene sulfide composite material and preparation method thereof 江西聚真科技发展有限公司 2023-11-14 CN claimed
CN-117003643-A M-dichlorobenzene continuous nitration process for inhibiting side reaction 山东科加工业技术研究院有限公司 2023-11-07 CN claimed
CN-116948202-A Preparation method of amphiphobic modified polyphenylene sulfide 江西聚真科技发展有限公司 2023-10-27 CN claimed
CN-116836063-A Preparation method of 5-chloro-2-nitroaniline 浙江普洛康裕制药有限公司 2023-10-03 CN claimed
CN-113087627-B Method for synthesizing 2, 4-dichloronitrobenzene by adopting tetraphenyl phosphine iodide as catalyst 云南云天化股份有限公司 2023-08-18 CN claimed
WO-1987004148-A1 CATALYTIC METHOD FOR PRODUCING FLUOROAROMATIC COMPOUNDS USING BRANCHED ALKYL PYRIDINIUM SALTS MALLINCKRODT, INC. (US) 1987-07-16 WO claimed
EP-0170412-A1 Benzoselenino[4,3,2-cd]indazole compounds, compositions comprising the compounds and processes for producing the compounds WARNER-LAMBERT COMPANY (US) 1986-02-05 EP claimed
EP-0043675-B1 MODIFIED HEMOGLOBINS SUITABLE FOR USE AS OXYGEN CARRIERS FOR BLOOD SUBSTITUTES AJINOMOTO CO., INC. (JP) 1984-10-03 EP claimed
US-4421694-A Process for the preparation of nitroanilines BAYER AKTIENGESELLSCHAFT (DE) 1983-12-20 US claimed
US-4377512-A ESTERIFICATION INULIN AND REACTING WITH HEMOGLOBIN AJINOMOTO CO., INC. (JP) 1983-03-22 US claimed
EP-0043675-A1 Modified hemoglobins suitable for use as oxygen carriers for blood substitutes AJINOMOTO CO., INC. (JP) 1982-01-13 EP claimed
US-4310711-A Process for preparing 5-chloro-2-nitrophenol HOECHST AKTIENGESELLSCHAFT (DE) 1982-01-12 US claimed
US-4230637-A Process for the preparation of chlorine-substituted aromatic amines BAYER AKTIENGESELLSCHAFT (DE) 1980-10-28 US claimed
EP-0000805-A1 Catalytic hydrogenation process for the manufacture of chlorinated aromatic amines The Clayton Aniline Company Limited (GB) 1979-02-21 EP claimed
US-4124768-A Process for preparing pure substituted 2,5-diarylamino-terephthalates and the corresponding free acids HOECHST AKTIENGESELLSCHAFT 1978-11-07 US claimed