SCHEMBL455697

SCHEMBL455697

Cc1[c]ccc([N+](=O)[O-])c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.50
TSHR P16473 6/20 0.50
TDP1 Q9NUW8 4/20 0.50
ACHE P22303 2/20 0.48
CYP3A4 P08684 3/20 0.47
LMNA P02545 1/20 0.46
HSD17B10 Q99714 2/20 0.45
ALOX15 P16050 2/20 0.39
PTPRC P08575 1/20 0.39
S100A4 P26447 1/20 0.39
HTT P42858 1/20 0.39
CYP1A2 P05177 1/20 0.39
NFE2L2 Q16236 1/20 0.39
PDE2A O00408 1/20 0.39
PDE5A O76074 1/20 0.39
NFKB1 P19838 1/20 0.39
APEX1 P27695 1/20 0.39
PDE4A P27815 1/20 0.39
BLM P54132 1/20 0.39
PDE1B Q01064 1/20 0.39

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
SCHEMBL2767676 0.81 CYP3A4 (0.31) ALDH1A1TSHRTDP1CYP3A4
SCHEMBL3357186 0.81 TSHR (0.51) ALDH1A1TSHRTDP1ACHELMNA
SCHEMBL28952404 0.80 HSD17B10 (0.47) ALDH1A1TSHRTDP1ACHECYP3A4
SCHEMBL1473759 0.79 ALDH1A1 (0.47) ALDH1A1TSHRTDP1ACHECYP3A4
SCHEMBL6468043 0.79 TSHR (0.42) ALDH1A1TSHRTDP1ACHECYP3A4
SCHEMBL26325 0.77 TSHR (0.48) ALDH1A1TSHRTDP1ACHECYP3A4
SCHEMBL146835 0.75 ALDH1A1 (0.47) ALDH1A1TSHRTDP1ACHECYP3A4
SCHEMBL57963 0.75 HSD17B10 (0.50) ALDH1A1TSHRTDP1ACHECYP3A4
SCHEMBL16005234 0.75 TSHR (0.46) ALDH1A1TSHRTDP1ACHECYP3A4
SCHEMBL3591508 0.75 ALDH1A1 (0.48) ALDH1A1TSHRTDP1CYP3A4LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113880762-B Triacylamine derivatives containing 1,8-naphthalimide as well as preparation method and application thereof 河北农业大学 2023-02-21 CN claimed
CN-112778125-B Aryl phenol compound and synthesis method and application thereof 华东师范大学 2023-02-17 CN claimed
CN-113880762-A 1, 8-naphthalimide-containing triacylamine derivatives, and preparation method and application thereof 河北农业大学 2022-01-04 CN claimed
CN-112778125-A Aryl phenol compound and synthesis method and application thereof 华东师范大学 2021-05-11 CN claimed
CN-108863935-B Application of amide compound containing pyrazole ring in preparation of herbicide 浙江工业大学 2020-07-14 CN claimed
CN-108117519-B Amide compound containing pyrazole ring, preparation method and application thereof 浙江工业大学 2020-01-07 CN claimed
CN-108586738-A Synthesis method of linear polyethyleneimine segmented copolymer 南京工业大学 2018-09-28 CN claimed
EP-2427426-B1 INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2018-02-07 EP claimed
WO-2016061393-A1 FUMARATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE XENOPORT, INC. (US) 2016-04-21 WO claimed
CN-103787802-A Aryl alkyl thioether compounds and synthesis method thereof UNIV EAST CHINA NORMAL 2014-05-14 CN claimed
EP-0201203-A2 Method of treatment of plants with aniline derivatives MAY & BAKER LIMITED (GB) 1986-11-12 EP claimed
EP-0119892-B1 HYDROXYL AMINE DERIVATIVES, THEIR PREPARATION, THEIR USE AS GROWTH FACTORS FOR VEGETABLES AND COMPOSITIONS THEREOF ROUSSEL-UCLAF (FR) 1986-08-13 EP claimed
US-4521430-A VASODILATOR, ANTIISCHEMIC AGENT TANABE SEIYAKU CO., LTD. (JP) 1985-06-04 US claimed
EP-0128462-A1 Novel benzothiazepine derivatives, processes for preparing the same and pharmaceutical compositions Tanabe Seiyaku Co., Ltd. (JP) 1984-12-19 EP claimed
EP-0119892-A1 Hydroxyl amine derivatives, their preparation, their use as growth factors for vegetables and compositions thereof ROUSSEL-UCLAF (FR) 1984-09-26 EP claimed
EP-0051877-B1 CARBAMOYLOXYISOOXAZOLE DERIVATIVES, THEIR PREPARATION AND INSECTICIDAL COMPOSITIONS CONTAINING THEM SANKYO COMPANY LIMITED (JP) 1984-09-05 EP claimed
EP-0031708-B1 CEPHALOSPORIN DERIVATIVES, PROCESSES FOR THEIR MANUFACTURE, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND INTERMEDIATES THEREFOR ICI PHARMA (FR) 1984-06-13 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
EP-0021058-A2 Derivatives of benzothienothiazine, their use, process and intermediates for their preparation and pharmaceutical compositions containing them F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1981-01-07 EP claimed
US-4090020-A ANTIINFLAMMATORY AGENTS, ANALGESICS, ANTIRHEUMATIC AGENTS HOFFMANN-LA ROCHE INC. (US) 1978-05-16 US claimed