SCHEMBL9397694

SCHEMBL9397694

CC1(C)Oc2ccc(C#N)cc2[C@H](N(O)C=O)[C@H]1O

nearest known ligand 0.72

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.72
▸ KCNE1 P15382 4/20 0.65
▸ KCNQ1 P51787 4/20 0.65
▸ CYP3A4 P08684 2/20 0.65
▸ MEN1 O00255 1/20 0.65
▸ CYP1A2 P05177 1/20 0.65
▸ CYP2D6 P10635 1/20 0.65
▸ CYP2C19 P33261 1/20 0.65
▸ KMT2A Q03164 1/20 0.65
▸ KCND3 Q9UK17 1/20 0.65
▸ ABCB1 P08183 13/20 0.64
▸ ALOX15 P16050 1/20 0.56
▸ ABCC9 O60706 1/20 0.54

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
SCHEMBL9397713 0.84 KDM4E (1.00) KDM4EKCNE1KCNQ1CYP3A4MEN1
SCHEMBL226242 0.84 KDM4E (1.00) KDM4EKCNE1KCNQ1CYP3A4MEN1
SCHEMBL29598369 0.84 KDM4E (1.00) KDM4EKCNE1KCNQ1CYP3A4MEN1
SCHEMBL2266866 0.84 KDM4E (1.00) KDM4EKCNE1KCNQ1CYP3A4MEN1
SCHEMBL9398655 0.83 KDM4E (0.80) KDM4EKCNE1KCNQ1CYP3A4MEN1
SCHEMBL23520090 0.82 KCNE1 (0.64) KDM4EKCNE1KCNQ1CYP3A4MEN1
SCHEMBL9398732 0.81 KDM4E (0.78) KDM4EKCNE1KCNQ1CYP3A4MEN1
SCHEMBL9398742 0.81 KDM4E (0.78) KDM4EKCNE1KCNQ1CYP3A4MEN1
SCHEMBL9398720 0.81 KDM4E (0.78) KDM4EKCNE1KCNQ1CYP3A4MEN1
SCHEMBL9620896 0.81 KDM4E (0.78) KDM4EKCNE1KCNQ1CYP3A4MEN1

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 5 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
EP-0339562-A1 Benzopyran compound and its pharmaceutical use YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1989-11-02 — — EP disclosed
Send feedback