SCHEMBL9397708

SCHEMBL9397708

CC(=O)NN(C(C)=O)[C@H]1c2cc([N+](=O)[O-])ccc2OC(C)(C)[C@@H]1O

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.46
KCNE1 P15382 11/20 0.40
KCNQ1 P51787 11/20 0.40
CYP3A4 P08684 2/20 0.39
ALOX15 P16050 1/20 0.39
ABCC9 O60706 2/20 0.38
MEN1 O00255 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
KMT2A Q03164 1/20 0.37
KCND3 Q9UK17 1/20 0.37
ABCB1 P08183 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL9397720 1.00 KDM4E (0.46) KDM4EKCNE1KCNQ1CYP3A4ALOX15
SCHEMBL9397730 1.00 KDM4E (0.46) KDM4EKCNE1KCNQ1CYP3A4ALOX15
SCHEMBL9813939 0.84 KDM4E (0.64) KDM4EKCNE1KCNQ1CYP3A4ALOX15
SCHEMBL9397665 0.84 KDM4E (0.64) KDM4EKCNE1KCNQ1CYP3A4ALOX15
SCHEMBL9397745 0.83 KCNE1 (0.59) KDM4EKCNE1KCNQ1CYP3A4ALOX15
SCHEMBL9397756 0.83 KCNE1 (0.59) KDM4EKCNE1KCNQ1CYP3A4ALOX15
SCHEMBL9397763 0.83 KCNE1 (0.59) KDM4EKCNE1KCNQ1CYP3A4ALOX15
SCHEMBL9397706 0.82 KCNE1 (0.47) KDM4EKCNE1KCNQ1CYP3A4ALOX15
SCHEMBL9397732 0.82 KCNE1 (0.47) KDM4EKCNE1KCNQ1CYP3A4ALOX15
SCHEMBL9397719 0.82 KCNE1 (0.47) KDM4EKCNE1KCNQ1CYP3A4ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5318969-A Hypotensive, vasodilating action and muscle relaxants YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1994-06-07 US claimed
EP-0339562-B1 BENZOPYRAN COMPOUND AND ITS PHARMACEUTICAL USE YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1993-09-15 EP claimed
EP-0339562-A1 Benzopyran compound and its pharmaceutical use YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1989-11-02 EP claimed
US-5318969-A Hypotensive, vasodilating action and muscle relaxants YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1994-06-07 US disclosed
EP-0339562-B1 BENZOPYRAN COMPOUND AND ITS PHARMACEUTICAL USE YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1993-09-15 EP disclosed
US-5143936-A Benzopyran compound and its pharmaceutical use YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1992-09-01 US disclosed
US-5021432-A Hypotensive agents YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1991-06-04 US disclosed
EP-0339562-A1 Benzopyran compound and its pharmaceutical use YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1989-11-02 EP disclosed