Dinitrophenylene

Dinitrophenylene

SCHEMBL9683678

ClSCl.O=[N+]([O-])c1cccc([N+](=O)[O-])c1

nearest known ligand 0.81

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.81
LMNA P02545 2/20 0.81
ALDH1A1 P00352 6/20 0.65
TDP1 Q9NUW8 1/20 0.65
HSP90AA1 P07900 1/20 0.63
CES2 O00748 1/20 0.61
CES1 P23141 1/20 0.61
ACHE P22303 1/20 0.59
ALOX15 P16050 1/20 0.59
GAA P10253 1/20 0.55
HTT P42858 1/20 0.55
KMT2A Q03164 1/20 0.55
TP53 P04637 1/20 0.53
NFE2L2 Q16236 1/20 0.52
CA2 P00918 1/20 0.52
CA5A P35218 1/20 0.52
FBP1 P09467 2/20 0.50
VCP P55072 1/20 0.50

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
Dinitrophenylene SCHEMBL29291896 0.90 TSHR (1.00) TSHRLMNAALDH1A1TDP1HSP90AA1
Dinitrophenylene SCHEMBL36632 0.90 TSHR (1.00) TSHRLMNAALDH1A1TDP1HSP90AA1
Dinitrophenylene SCHEMBL27867864 0.88 TSHR (0.77) TSHRLMNAALDH1A1TDP1HSP90AA1
Dinitrophenylene SCHEMBL27624202 0.88 TSHR (0.85) TSHRLMNAALDH1A1TDP1HSP90AA1
Dinitrophenylene SCHEMBL2997371 0.87 TSHR (0.94) TSHRLMNAALDH1A1TDP1HSP90AA1
Dinitrophenylene SCHEMBL29834109 0.87 TSHR (0.94) TSHRLMNAALDH1A1TDP1HSP90AA1
Dinitrophenylene SCHEMBL29143070 0.87 TSHR (0.94) TSHRLMNAALDH1A1TDP1HSP90AA1
Dinitrophenylene SCHEMBL9733868 0.87 TSHR (0.94) TSHRLMNAALDH1A1TDP1HSP90AA1
Dinitrophenylene SCHEMBL30600045 0.87 TSHR (0.94) TSHRLMNAALDH1A1TDP1HSP90AA1
Dinitrophenylene SCHEMBL9733861 0.87 TSHR (0.94) TSHRLMNAALDH1A1TDP1HSP90AA1

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
EP-0024042-B1 ANTIINFLAMMATORY 5-SUBSTITUTED-2,3-DIARYL-THIOPHENES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM E.I. DU PONT DE NEMOURS AND COMPANY (US) 1986-01-29 EP claimed
US-3998889-A REACTING AN UNSATURATED ORGANO-TIN COMPOUND WITH AN ORGANIC SULFUR HALIDE THE PROCTER & GAMBLE COMPANY (US) 1976-12-21 US claimed
JP-63179977-A None JP disclosed
US-5086047-A Controlling estrogen production; breast cancer ROUSSEL UCLAF, DEPARTMENT DES BREVETS (FR) 1992-02-04 US disclosed
JP-S63179977-A ULTRAVIOLET COLOR DEVELOPABLE COATING TOMOEGAWA PAPER CO LTD 1988-07-23 JP disclosed
EP-0024042-B1 ANTIINFLAMMATORY 5-SUBSTITUTED-2,3-DIARYL-THIOPHENES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM E.I. DU PONT DE NEMOURS AND COMPANY (US) 1986-01-29 EP disclosed
US-4086280-A FROM M-CHLOROPERBENZOIC ACID AND AN ALKYL ALKENYL TIN COMPOUND TO FORM EPOXIDE, HYDROGEN CHLORIDE THE PROCTER & GAMBLE COMPANY (US) 1978-04-25 US disclosed
US-4085273-A REACTING TRIBUTYL(1-CARBOALKOXY-2,2-DIMETHYL-3-BUTEN-1-YL)TIN WITH ACETYL FLUOBORATE, REACTING PRODUCT WITH METHYL METAL COMPOUND, DEHYDRATING PRODUCT WITH IODINE CATALYSIS THE PROCTER & GAMBLE COMPANY (US) 1978-04-18 US disclosed
US-4065480-A Process for preparing substituted cyclopropycarbinyl compounds THE PROCTER & GAMBLE COMPANY (US) 1977-12-27 US disclosed
US-3998889-A REACTING AN UNSATURATED ORGANO-TIN COMPOUND WITH AN ORGANIC SULFUR HALIDE THE PROCTER & GAMBLE COMPANY (US) 1976-12-21 US disclosed
US-3959324-A PESTICIDE, ANTIINFLAMMATORY THE PROCTER & GAMBLE COMPANY (US) 1976-05-25 US disclosed