SCHEMBL11356136

SCHEMBL11356136

O=[N+]([O-])c1cccc(Sc2cccc([N+](=O)[O-])c2)c1

nearest known ligand 0.77

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.77
TSHR P16473 6/20 0.67
LMNA P02545 2/20 0.67
ALDH1A1 P00352 6/20 0.55
ACHE P22303 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
ALOX15 P16050 1/20 0.55
GAA P10253 1/20 0.52
HTT P42858 1/20 0.52
KMT2A Q03164 1/20 0.52
CES2 O00748 1/20 0.52
CES1 P23141 1/20 0.52
PDE7A Q13946 2/20 0.51
TP53 P04637 1/20 0.50
NFE2L2 Q16236 1/20 0.48
CA2 P00918 1/20 0.48
CA5A P35218 1/20 0.48

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
SCHEMBL31405188 1.00 HSP90AA1 (0.77) HSP90AA1TSHRLMNAALDH1A1ACHE
SCHEMBL2887765 0.94 HSP90AA1 (0.69) HSP90AA1TSHRLMNAALDH1A1ACHE
SCHEMBL4801505 0.89 TSHR (0.70) HSP90AA1TSHRLMNAALDH1A1ACHE
SCHEMBL18550254 0.88 HSP90AA1 (0.61) HSP90AA1TSHRLMNAALDH1A1ACHE
SCHEMBL20591230 0.88 HSP90AA1 (0.61) HSP90AA1TSHRLMNAALDH1A1ACHE
SCHEMBL20347051 0.87 HSP90AA1 (0.77) HSP90AA1TSHRLMNAALDH1A1ACHE
SCHEMBL31482901 0.87 HSP90AA1 (1.00) HSP90AA1TSHRLMNAALDH1A1ACHE
SCHEMBL30468119 0.87 HSP90AA1 (1.00) HSP90AA1TSHRLMNAALDH1A1ACHE
SCHEMBL288227 0.87 HSP90AA1 (1.00) HSP90AA1TSHRLMNAALDH1A1ACHE
SCHEMBL1818188 0.85 HSP90AA1 (0.74) HSP90AA1TSHRLMNAALDH1A1ACHE

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113999149-B Preparation method for synthesizing diaryl sulfide compound based on L-cysteine 沈阳药科大学 2024-04-02 CN disclosed
CN-113166046-B Diamine compound, polyimide precursor using same, and polyimide film 株式会社LG化学 2023-06-06 CN disclosed
CN-113999149-A Preparation method for synthesizing diaryl thioether compound based on L-cysteine 沈阳药科大学 2022-02-01 CN disclosed
CN-103787802-B One class arylalkyl thioethers compound and synthetic method thereof EAST CHINA NORMAL UNIVERSITY (CN) 2015-08-19 CN disclosed
CN-104725172-A Synthetic method of aryl sulfide type compound UNIV EAST CHINA NORMAL 2015-06-24 CN disclosed
CN-104045589-A Aryl alkyl thioether compound and synthetic method thereof UNIV EAST CHINA NORMAL 2014-09-17 CN disclosed
CN-103848767-A Synthetic method of aryl thioether compound UNIV EAST CHINA NORMAL 2014-06-11 CN disclosed
CN-103787802-A Aryl alkyl thioether compounds and synthesis method thereof UNIV EAST CHINA NORMAL 2014-05-14 CN disclosed
US-4286964-A Polyfunctional epoxides and halohydrins used as bridging groups to bind aromatic amine group-containing alcohols and thiols to hydroxyl bearing substrates SEED BRIAN S 1981-09-01 US disclosed
EP-0027377-A1 Derivatives of hydroxyl-bearing substrates, process for their preparation and a method of application Seed, Brian Sarsfield (US) 1981-04-22 EP disclosed
US-4238619-A Method for making aryl onium salts of group via elements GENERAL ELECTRIC COMPANY (US) 1980-12-09 US disclosed