SCHEMBL527809

SCHEMBL527809

O=[N+]([O-])c1ccc(Br)c(Cl)c1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.67
PDE7A Q13946 7/20 0.57
ALDH1A1 P00352 5/20 0.54
KMT2A Q03164 1/20 0.53
VCAM1 P19320 1/20 0.50
TDP1 Q9NUW8 3/20 0.48
PTPRC P08575 1/20 0.48
S100A4 P26447 1/20 0.48
CYP3A4 P08684 1/20 0.47
TSHR P16473 2/20 0.46
LMNA P02545 1/20 0.46
PDE4B Q07343 1/20 0.46
PDE4D Q08499 1/20 0.46
PDE7B Q9NP56 1/20 0.46
GPR35 Q9HC97 1/20 0.44

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
SCHEMBL30962630 1.00 HSD17B10 (0.67) HSD17B10PDE7AALDH1A1KMT2AVCAM1
SCHEMBL899840 0.83 HSD17B10 (0.67) HSD17B10PDE7AALDH1A1KMT2AVCAM1
SCHEMBL31118438 0.83 HSD17B10 (0.67) HSD17B10PDE7AALDH1A1KMT2AVCAM1
SCHEMBL31287761 0.81 HSPB1 (0.53) HSD17B10PDE7AALDH1A1KMT2ALMNA
SCHEMBL11785049 0.81 HSPB1 (0.53) HSD17B10PDE7AALDH1A1KMT2ALMNA
SCHEMBL30317899 0.80 PTPRC (0.54) HSD17B10ALDH1A1TDP1PTPRCS100A4
SCHEMBL3277269 0.80 PTPRC (0.54) HSD17B10ALDH1A1TDP1PTPRCS100A4
SCHEMBL85918 0.80 HSD17B10 (1.00) HSD17B10PDE7AALDH1A1KMT2AVCAM1
SCHEMBL29360183 0.80 HSD17B10 (1.00) HSD17B10PDE7AALDH1A1KMT2AVCAM1
SCHEMBL25520240 0.79 PTPRC (0.48) HSD17B10PDE7AALDH1A1TDP1PTPRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104402920-B A kind of method for synthesizing the chloroaniline of 2 halo, 3 pinacol borate 5 河南科技学院 2018-04-03 CN claimed
CN-104402920-A Method for synthesizing 2-halogenated-3-pinacol borate-5-chloroaniline XUE FENG 2015-03-11 CN claimed
US-4375550-A Hydrogenation of halogen-substituted aromatic nitro compounds JOHNSON, MATTHEY & CO., LIMITED (GB) 1983-03-01 US claimed
EP-4667463-A1 DOMIDE MOLECULAR GLUE DERIVATIVE AND USE THEREOF CSPC Megalith Biopharmaceutical Co., Ltd. (CN) 2025-12-24 EP disclosed
CN-119977812-A Method for synthesizing 1, 4-diphenyl-1-butyne derivatives by nickel catalytic reduction coupling 华南理工大学 2025-05-13 CN disclosed
CN-118829637-A Amine molecular gum derivative and application thereof 石药集团巨石生物制药有限公司 2024-10-22 CN disclosed
WO-2024169913-A1 DOMIDE MOLECULAR GLUE DERIVATIVE AND USE THEREOF 石药集团巨石生物制药有限公司 2024-08-22 WO disclosed
CN-115304606-B Degradation agent for simultaneously targeting BTK and GSPT proteins 清华大学 2024-04-19 CN disclosed
CN-116813475-A Halogenated synthesis method of aromatic ring compound 北京大学 2023-09-29 CN disclosed
CN-116715613-A ROR gamma covalent inhibition compound and preparation method and application thereof 中山大学 2023-09-08 CN disclosed
US-11714080-B2 Compounds and methods of identifying, synthesizing, optimizing and profiling protein modulators HMI Medical Innovations, LLC (US) 2023-08-01 US disclosed
WO-1999059527-A2 OXIDIZING HAIR COLORING AGENTS CONTAINING 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES AND NOVEL 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES WELLA AKTIENGESELLSCHAFT (DE) 1999-11-25 WO disclosed
WO-1999051580-A1 PYRAZOLE INHIBITORS OF CYTOKINE PRODUCTION ABBOTT LABORATORIES (US) 1999-10-14 WO disclosed
WO-1998009969-A1 NOVEL ARYL-PYRIDAZINES ASTRA PHARMACEUTICALS LTD. (GB) 1998-03-12 WO disclosed
US-4584396-A Substituted phenoxypropionates and herbicidal compositions NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1986-04-22 US disclosed
US-4478757-A Process for the manufacture of aromatic isocyanates PRODUITS CHIMIQUES UGINE KUHLMANN (FR) 1984-10-23 US disclosed
US-4441913-A PRE- AND POST-EMERGENCE NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1984-04-10 US disclosed
US-4362645-A Temperature indicating compositions of matter AKZONA, INC. (US) 1982-12-07 US disclosed
US-4232552-A THERMOCHROMISM, DISPOSABLE THERMOMETERS AKZONA INCORPORATED (US) 1980-11-11 US disclosed
US-4082778-A ANTHRAQUINONE DYES, ORGANIC PIGMENTS CIBA-GEIGY CORPORATION (US) 1978-04-04 US disclosed