SCHEMBL113099

SCHEMBL113099

Nc1cc([N+](=O)[O-])ccc1Cl

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.67
CYP3A4 P08684 3/20 0.60
GAA P10253 1/20 0.60
THRB P10828 1/20 0.60
TSHR P16473 1/20 0.60
TDP1 Q9NUW8 4/20 0.59
ALDH1A1 P00352 4/20 0.57
VCAM1 P19320 1/20 0.55
ALOX15 P16050 1/20 0.55
KMT2A Q03164 2/20 0.53
PDE7A Q13946 3/20 0.53
HTT P42858 1/20 0.52
RORC P51449 1/20 0.50
MEN1 O00255 1/20 0.49
MAPT P10636 1/20 0.49
GFER P55789 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
SCHEMBL31438898 0.85 HSD17B10 (0.69) HSD17B10CYP3A4GAATHRBTSHR
SCHEMBL532698 0.85 HSD17B10 (0.69) HSD17B10CYP3A4GAATHRBTSHR
SCHEMBL29353815 0.82 CYP3A4 (0.69) HSD17B10CYP3A4GAATHRBTSHR
SCHEMBL78293 0.82 CYP3A4 (0.69) HSD17B10CYP3A4GAATHRBTSHR
Nitrogen SCHEMBL28456009 0.82 HSD17B10 (0.64) HSD17B10CYP3A4GAATHRBTSHR
Dinitrochlorobenzene SCHEMBL28826452 0.81 TDP1 (0.79) HSD17B10CYP3A4GAATHRBTSHR
SCHEMBL31435677 0.80 CYP3A4 (0.67) HSD17B10CYP3A4GAATHRBTSHR
Hydrochloric Acid SCHEMBL970605 0.80 CYP3A4 (0.67) HSD17B10CYP3A4GAATHRBTSHR
SCHEMBL85918 0.80 HSD17B10 (1.00) HSD17B10TSHRTDP1ALDH1A1VCAM1
SCHEMBL29360183 0.80 HSD17B10 (1.00) HSD17B10TSHRTDP1ALDH1A1VCAM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-121064050-B Preparation method of 2', 4-dichloro-2-aminodiphenyl ether Yantai Taihe New Material Polymer New Material Research Institute Co.,Ltd. (CN) 2026-05-26 CN claimed
CN-119707773-A Preparation method and application of maleimide structure-containing compound 中国农业大学 2025-03-28 CN claimed
CN-116354900-B Chlorothiazole compound containing maleic acid structure, and preparation method and application thereof 中国农业大学 2024-03-12 CN claimed
CN-116354900-A Chlorothiazole compound containing maleic acid structure, and preparation method and application thereof 中国农业大学 2023-06-30 CN claimed
CN-111205670-B Double-aromatic primary amine acid dye containing H acid structure and preparation method thereof 浙江理工大学上虞工业技术研究院有限公司 2021-03-02 CN claimed
CN-111205670-A Double-aromatic primary amine acid dye containing H acid structure and preparation method thereof 浙江理工大学上虞工业技术研究院有限公司 2020-05-29 CN claimed
CN-110590561-A Herbicidal ether hapten, artificial antigen and antibody as well as preparation method and application thereof 北京勤邦生物技术有限公司 2019-12-20 CN claimed
CN-108976922-A A kind of fire resistant special type coating and preparation method thereof 苏州牛麦田新材料科技有限公司 2018-12-11 CN claimed
CN-108358848-A A kind of synthetic method of bendamustine hydrochloride intermediate 吴江信凯医药科技有限公司 2018-08-03 CN claimed
CN-105621587-B A kind of method using potentiometric titrations degradating chloro nitro-aromatic 浙江大学 2018-01-23 CN claimed
WO-2005026265-A1 LAKED AZO RED PIGMENT AND PROCESSES FOR PREPARATION AND USE ENGELHARD CORPORATION (US) 2005-03-24 WO claimed
US-20050051050-A1 Heat stable laked monoazo red pigment ENGELHARD CORPORATION 2005-03-10 US claimed
US-20050054385-A1 Laked azo red pigment and processes for preparation and use ENGELHARD CORPORATION 2005-03-10 US claimed
US-6372030-B1 INK VEHICLE SELECTED FROM 4-(HEXADECYLAMINO)BENZYLAMINE, N-OCTANOYL-N-METHYL GLUCAMINE, OCTANOIC HYDRAZIDE, 4-HEXADECYL SULFONYL ANILINE, A CONDUCTIVE COMPLEX OF AN AMINE COMPOUND WITH A PHOSPHORUS OR SULFUR-CONTAINING ACID XEROX CORPORATION 2002-04-16 US claimed
WO-1993016401-A1 PROCESS FOR OBTAINING FILMS COMPRISING ORIENTED ORGANIC MOLECULES KODAK-PATHE (FR) 1993-08-19 WO claimed
EP-0041171-B1 2-CHLORO-5-NITRO-PHENYL ISOCYANATE, PROCESS FOR ITS PREPARATION AND ITS USE BAYER AG (DE) 1983-06-29 EP claimed
EP-0041172-B1 PROCESS FOR THE PREPARATION OF PIVALOYLACETIC-ACID-2-CHLORO-5-(4-(2,4-DI-TERT.-AMYL)-PHENOXYBUTYRAMIDO) ANILIDE BAYER AG (DE) 1983-05-18 EP claimed
EP-0041171-A1 2-Chloro-5-nitro-phenyl isocyanate, process for its preparation and its use BAYER AG (DE) 1981-12-09 EP claimed
US-4288362-A Monoazo pigments containing a quinazo linonylacetoacetanilide coupling component BAYER AKTIENGESELLSCHAFT (DE) 1981-09-08 US claimed
US-4113954-A PROCESS FOR THE PREPARATION OF 3-ANILINO-5-PYRAZOLONES GAF CORPORATION (US) 1978-09-12 US claimed