SCHEMBL9398457

SCHEMBL9398457

CC(=O)NN(C(C)=O)[C@@H]1c2cc(C#N)ccc2OC(C)(C)[C@H]1OC(C)=O

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.59
CYP3A4 P08684 2/20 0.52
ALOX15 P16050 1/20 0.52
KCNE1 P15382 4/20 0.48
KCNQ1 P51787 4/20 0.48
MEN1 O00255 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C19 P33261 1/20 0.48
KMT2A Q03164 1/20 0.48
KCND3 Q9UK17 1/20 0.48
ABCB1 P08183 13/20 0.48
ABCC9 O60706 1/20 0.47

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
SCHEMBL9398440 1.00 KDM4E (0.59) KDM4ECYP3A4ALOX15KCNE1KCNQ1
SCHEMBL9398445 1.00 KDM4E (0.59) KDM4ECYP3A4ALOX15KCNE1KCNQ1
SCHEMBL9397797 0.92 KDM4E (0.57) KDM4ECYP3A4ALOX15KCNE1KCNQ1
SCHEMBL9398511 0.88 KDM4E (0.72) KDM4ECYP3A4ALOX15KCNE1KCNQ1
SCHEMBL9397668 0.88 KDM4E (0.72) KDM4ECYP3A4ALOX15KCNE1KCNQ1
SCHEMBL9398721 0.88 KDM4E (0.72) KDM4ECYP3A4ALOX15KCNE1KCNQ1
SCHEMBL9397755 0.85 KDM4E (0.54) KDM4ECYP3A4ALOX15KCNE1KCNQ1
SCHEMBL9550598 0.82 KDM4E (0.60) KDM4ECYP3A4ALOX15KCNE1KCNQ1
SCHEMBL9398498 0.81 KDM4E (0.68) KDM4ECYP3A4ALOX15KCNE1KCNQ1
SCHEMBL9398487 0.81 KDM4E (0.68) KDM4ECYP3A4ALOX15KCNE1KCNQ1

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 4 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 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