SCHEMBL11802146

SCHEMBL11802146

Cc1ccc([N+](=O)[O-])c([N+](=O)[O-])c1S(=O)(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.49
ALDH1A1 P00352 5/20 0.41
TDP1 Q9NUW8 3/20 0.41
GPR35 Q9HC97 3/20 0.41
HSD17B10 Q99714 1/20 0.40
CYP3A4 P08684 3/20 0.40
HPGD P15428 1/20 0.40
RECQL P46063 1/20 0.40
NSD2 O96028 1/20 0.39
GAA P10253 1/20 0.39
PLCG1 P19174 1/20 0.39
DNMT1 P26358 1/20 0.39
CASP6 P55212 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
MAPT P10636 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37

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
Hydrochloric Acid SCHEMBL11755802 0.98 TSHR (0.47) TSHRALDH1A1TDP1GPR35HSD17B10
SCHEMBL2314823 0.86 TSHR (0.49) TSHRALDH1A1TDP1GPR35HSD17B10
SCHEMBL6634912 0.85 GPR35 (0.46) TSHRALDH1A1TDP1GPR35CYP3A4
SCHEMBL11520845 0.85 TSHR (0.47) TSHRALDH1A1TDP1GPR35HSD17B10
SCHEMBL28203910 0.84 TSHR (0.47) TSHRALDH1A1TDP1HSD17B10CYP3A4
SCHEMBL27530817 0.84 GPR35 (0.44) TSHRALDH1A1TDP1GPR35CYP3A4
SCHEMBL11755785 0.83 TSHR (0.49) TSHRALDH1A1TDP1GPR35HSD17B10
SCHEMBL3929623 0.83 TSHR (0.49) TSHRALDH1A1TDP1GPR35HSD17B10
SCHEMBL29083020 0.82 GPR35 (0.43) TSHRALDH1A1TDP1GPR35CYP3A4
SCHEMBL9822792 0.81 ALDH1A1 (0.40) TSHRALDH1A1TDP1HSD17B10CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119034812-A Catalyst composition, method for selectively hydrogenating conjugated diene latex, hydrogenated conjugated diene latex and application thereof 山东京博中聚新材料有限公司 2024-11-29 CN claimed
CN-119034812-A Catalyst composition, method for selectively hydrogenating conjugated diene latex, hydrogenated conjugated diene latex and application thereof 山东京博中聚新材料有限公司 2024-11-29 CN disclosed
CN-116730930-A Synthesis method and application of high-energy insensitive fusion casting carrier explosive 2-methyl-4, 5-dinitro-1, 2, 3-triazole 中北大学 2023-09-12 CN disclosed
CN-217798002-U TNT refining process alkaline waste water pollutes soil resource utilization system 北京北方节能环保有限公司 2022-11-15 CN disclosed
CN-215032310-U TNT refining process alkaline waste water pollutes soil composting processing system 北京北方节能环保有限公司 2021-12-07 CN disclosed
CN-108034613-B Strain Sphingomonas sp.X4 capable of efficiently degrading 2, 4-dinitrotosylate and application thereof 北京协同创新研究院 2020-07-14 CN disclosed
CN-108277175-B 2, 4-dinitrotoluene sulfonate efficient degradation strain Microbacterium sp.X3 and application thereof 北京协同创新研究院 2020-07-14 CN disclosed
CN-108048365-B 2, 4-dinitrotosylate degrading strain and application thereof 北京协同创新研究院 2020-05-22 CN disclosed
CN-107988124-B 2, 4-dinitrotoluene sulfonate efficient degradation strain Brucella sp.X2 and application thereof 北京协同创新研究院 2020-04-03 CN disclosed
CN-100460059-C Method for treating explosive waste water UNIV ZHEJIANG (CN) 2009-02-11 CN disclosed
CN-101074121-A Method for treating explosive waste water UNIV ZHEJIANG (CN) 2007-11-21 CN disclosed
US-4003953-A 2,4,6-TRINITRO-TOLUENE; HEATING, DISSOLVING THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) 1977-01-18 US disclosed