SCHEMBL16990730

SCHEMBL16990730

O=[N+]([O-])c1ccc(S)c2ccccc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 3/20 0.61
▸ CTSB P07858 5/20 0.60
▸ ALDH1A1 P00352 5/20 0.53
▸ AR P10275 2/20 0.50
▸ HSD17B10 Q99714 2/20 0.46
▸ HPRT1 P00492 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ AKR1C4 P17516 1/20 0.43
▸ AKR1C3 P42330 1/20 0.43
▸ AKR1C2 P52895 1/20 0.43
▸ AKR1C1 Q04828 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ NCOA1 Q15788 1/20 0.42
▸ NCOA3 Q9Y6Q9 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ BRD4 O60885 1/20 0.42

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
SCHEMBL7788656 0.87 TDP1 (0.80) TDP1CTSBALDH1A1ARHSD17B10
SCHEMBL3601801 0.79 TDP1 (0.55) TDP1CTSBALDH1A1ARHSD17B10
SCHEMBL57166 0.77 TDP1 (1.00) TDP1CTSBALDH1A1HSD17B10CYP3A4
SCHEMBL29475175 0.77 TDP1 (1.00) TDP1CTSBALDH1A1HSD17B10CYP3A4
SCHEMBL29708012 0.76 TDP1 (0.57) TDP1CTSBALDH1A1ARHSD17B10
SCHEMBL2030842 0.76 TDP1 (0.57) TDP1CTSBALDH1A1ARHSD17B10
SCHEMBL7417866 0.75 TDP1 (0.61) TDP1CTSBALDH1A1ARHSD17B10
SCHEMBL536316 0.75 TDP1 (0.61) TDP1CTSBALDH1A1ARHSD17B10
SCHEMBL7835243 0.75 TDP1 (0.61) TDP1CTSBALDH1A1ARHSD17B10
SCHEMBL6815901 0.75 TDP1 (0.61) TDP1CTSBALDH1A1ARHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9611502-B2 Method for simultaneously measuring activity of various enzymes by using multi-wavelength absorption single channel CHONGQING MEDICAL UNIVERSITY (CN) 2017-04-04 — — US claimed
US-20150225764-A1 METHOD FOR SIMULTANEOUSLY MEASURING ACTIVITY OF VARIOUS ENZYMES BY USING MULTI-WAVELENGTH ABSORPTION SINGLE CHANNEL CHONGQING MEDICAL UNIVERSITY (CN) 2015-08-13 — — US claimed
CN-102879343-B Method for simultaneously measuring activities of various enzymes by using multi-wavelength absorbing single channel CHONGQING MEDICAL UNIVERSITY (CN) 2014-10-29 — — CN claimed
CN-102879343-A Method for simultaneously measuring activities of various enzymes by using multi-wavelength absorbing single channel UNIV CHONGQING MEDICAL 2013-01-16 — — CN claimed
US-9611502-B2 Method for simultaneously measuring activity of various enzymes by using multi-wavelength absorption single channel CHONGQING MEDICAL UNIVERSITY (CN) 2017-04-04 — — US disclosed
US-9611502-B2 Method for simultaneously measuring activity of various enzymes by using multi-wavelength absorption single channel CHONGQING MEDICAL UNIVERSITY (CN) 2017-04-04 — — US disclosed
US-20150225764-A1 METHOD FOR SIMULTANEOUSLY MEASURING ACTIVITY OF VARIOUS ENZYMES BY USING MULTI-WAVELENGTH ABSORPTION SINGLE CHANNEL CHONGQING MEDICAL UNIVERSITY (CN) 2015-08-13 — — US disclosed
US-20150225764-A1 METHOD FOR SIMULTANEOUSLY MEASURING ACTIVITY OF VARIOUS ENZYMES BY USING MULTI-WAVELENGTH ABSORPTION SINGLE CHANNEL CHONGQING MEDICAL UNIVERSITY (CN) 2015-08-13 — — US disclosed
CN-102879343-B Method for simultaneously measuring activities of various enzymes by using multi-wavelength absorbing single channel CHONGQING MEDICAL UNIVERSITY (CN) 2014-10-29 — — CN disclosed
CN-102879343-A Method for simultaneously measuring activities of various enzymes by using multi-wavelength absorbing single channel UNIV CHONGQING MEDICAL 2013-01-16 — — CN disclosed
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