SCHEMBL57963

SCHEMBL57963

O=[N+]([O-])c1cc[c]c(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.50
ALDH1A1 P00352 8/20 0.48
TDP1 Q9NUW8 4/20 0.48
TSHR P16473 6/20 0.46
LMNA P02545 1/20 0.46
KMT2A Q03164 1/20 0.44
VCAM1 P19320 1/20 0.42
PTPRC P08575 1/20 0.39
S100A4 P26447 1/20 0.39
ACHE P22303 1/20 0.39
ALOX15 P16050 1/20 0.39
CYP3A4 P08684 1/20 0.38

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
SCHEMBL15639645 0.80 CA12 (0.43) HSD17B10ALDH1A1TDP1LMNAKMT2A
SCHEMBL1720012 0.79 KMT2A (0.30) KMT2A
SCHEMBL28776686 0.77 TDP1 (0.44) HSD17B10ALDH1A1TDP1TSHRKMT2A
SCHEMBL26325 0.77 TSHR (0.48) HSD17B10ALDH1A1TDP1TSHRLMNA
SCHEMBL146835 0.75 ALDH1A1 (0.47) HSD17B10ALDH1A1TDP1TSHRLMNA
SCHEMBL887743 0.75 TSHR (0.48) HSD17B10ALDH1A1TDP1TSHRLMNA
SCHEMBL16005234 0.75 TSHR (0.46) HSD17B10ALDH1A1TDP1TSHRLMNA
SCHEMBL3591508 0.75 ALDH1A1 (0.48) HSD17B10ALDH1A1TDP1TSHRLMNA
SCHEMBL1473759 0.75 ALDH1A1 (0.47) HSD17B10ALDH1A1TDP1TSHRLMNA
SCHEMBL455697 0.75 ALDH1A1 (0.50) HSD17B10ALDH1A1TDP1TSHRLMNA

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 1293 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116410120-A 2-phenylindole amide antitumor compound and application thereof 四川农业大学 2023-07-11 CN claimed
CN-115611872-A Multi-structure-position modified andrographolide derivative and application thereof 南京工业大学 2023-01-17 CN claimed
CN-110240533-B Preparation method of N, N-dimethyl sulfonamide derivative 河南科技大学 2022-03-18 CN claimed
CN-113712970-A Application of formononetin derivative in preparation of medicine for treating or preventing perimenopausal syndrome 云南大学 2021-11-30 CN claimed
CN-113717141-A Formononetin derivative and preparation method and application thereof 云南大学 2021-11-30 CN claimed
CN-110218167-B N, N-dimethyl aryl sulfonamide derivative and application thereof in preventing and treating meloidogyne incognita 河南科技大学 2021-09-24 CN claimed
CN-112646388-A Pyrazole monoazo dye and preparation method thereof 杭州吉华江东化工有限公司 2021-04-13 CN claimed
CN-110305500-B Dye composition, disperse dye product containing dye composition and application of disperse dye product 杭州吉华江东化工有限公司 2021-03-19 CN claimed
CN-112442283-A Azo type disperse dye compound suitable for dyeing in acid-alkaline bath, preparation method, composition and application thereof 浙江闰土股份有限公司 2021-03-05 CN claimed
WO-2021041997-A1 CO-POTENTIATORS FOR THERAPY OF CYSTIC FIBROSIS CAUSED BY MINIMAL FUNCTION CFTR MUTANTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-03-04 WO claimed
US-4401600-A INTERMEDIATES FOR AZO DYES CIBA-GEIGY CORPORATION (US) 1983-08-30 US claimed
EP-0048548-A1 Pharmaceutical compositions of fungicidal triazole derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1982-03-31 EP claimed
EP-0031708-A2 Cephalosporin derivatives, processes for their manufacture, pharmaceutical compositions containing them and intermediates therefor ICI PHARMA (FR) 1981-07-08 EP claimed
US-4243583-A COUPLING DIAZONIUM SALT WITH MALONONITRILE DIMER, CYCLIZATION CIBA-GEIGY CORPORATION (US) 1981-01-06 US claimed
US-4213898-A FOR POLYACRYLONITRILE SANDOZ LTD. (CH) 1980-07-22 US claimed
US-4104270-A Process for the manufacture of aromatic phosphonates IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1978-08-01 US claimed
US-4046757-A 2-Optionally substituted alkyl-and phenylsulfonylphenyl-azo-phenyl dyes and a process for their synthesis SANDOZ LTD. (CH) 1977-09-06 US claimed
US-3998803-A TEXTILES FIDELITY UNION TRUST COMPANY, EXECUTIVE TRUSTEE UNDER THE SANDOZ TRUST (US) 1976-12-21 US claimed
US-3987026-A POLYESTERS CIBA-GEIGY CORPORATION (US) 1976-10-19 US claimed
US-3969356-A SEDATIVE, ANALGESIC, ANTIHISTAMINE KALI-CHEMIE AKTIENGESELLSCHAFT (DT) 1976-07-13 US claimed