SCHEMBL8625593

SCHEMBL8625593

CS(=O)(=O)Oc1cc([N+](=O)[O-])ccc1N

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.65
TDP1 Q9NUW8 4/20 0.54
CYP3A4 P08684 4/20 0.51
ALDH1A1 P00352 2/20 0.51
TSHR P16473 2/20 0.50
CYP19A1 P11511 8/20 0.47
ALOX15 P16050 1/20 0.46
GAA P10253 1/20 0.46
THRB P10828 1/20 0.46
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.45
MLNR O43193 1/20 0.45
LMNA P02545 1/20 0.45
MMP1 P03956 1/20 0.45
MPO P05164 1/20 0.45
CYP1A2 P05177 1/20 0.45
GLA P06280 1/20 0.45

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
SCHEMBL28211614 0.86 HTT (0.64) HTTTDP1CYP3A4ALDH1A1TSHR
SCHEMBL5690779 0.83 HTT (0.60) HTTTDP1CYP3A4ALDH1A1TSHR
SCHEMBL6161949 0.83 HTT (0.60) HTTTDP1CYP3A4ALDH1A1TSHR
SCHEMBL28475404 0.82 HTT (0.58) HTTTDP1CYP3A4ALDH1A1TSHR
SCHEMBL8751755 0.79 HTT (0.55) HTTTDP1CYP3A4ALDH1A1TSHR
SCHEMBL222283 0.79 HTT (1.00) HTTTDP1CYP3A4ALDH1A1TSHR
SCHEMBL8756394 0.79 HSPB1 (0.49) HTTTDP1CYP3A4ALDH1A1TSHR
SCHEMBL11834351 0.79 HSD17B10 (0.53) TDP1CYP3A4ALDH1A1GAAKDM4E
SCHEMBL10939518 0.78 HTT (0.72) HTTTDP1CYP3A4ALDH1A1TSHR
SCHEMBL31297153 0.77 HTT (0.96) HTTTDP1CYP3A4ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0576036-B1 Optical information recording element using AZO dyes EASTMAN KODAK CO (US) 1998-05-20 EP disclosed
EP-0576036-A2 Optical information recording element using AZO dyes EASTMAN KODAK COMPANY (US) 1993-12-29 EP disclosed
US-5272047-A Optical information recording medium using azo dyes EASTMAN KODAK COMPANY (US) 1993-12-21 US disclosed