SCHEMBL9620896

SCHEMBL9620896

CC(=O)N(C)C1c2cc(C#N)ccc2OC(C)(C)C1O

nearest known ligand 0.78

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.78
KCNE1 P15382 4/20 0.67
KCNQ1 P51787 4/20 0.67
CYP3A4 P08684 2/20 0.67
MEN1 O00255 1/20 0.67
CYP1A2 P05177 1/20 0.67
CYP2D6 P10635 1/20 0.67
CYP2C19 P33261 1/20 0.67
KMT2A Q03164 1/20 0.67
KCND3 Q9UK17 1/20 0.67
ABCB1 P08183 13/20 0.66
ALOX15 P16050 1/20 0.63
ABCC9 O60706 1/20 0.56

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
SCHEMBL9354142 0.89 KDM4E (0.69) KDM4EKCNE1KCNQ1CYP3A4MEN1
SCHEMBL9354131 0.89 KDM4E (0.69) KDM4EKCNE1KCNQ1CYP3A4MEN1
SCHEMBL9354144 0.89 KDM4E (0.69) KDM4EKCNE1KCNQ1CYP3A4MEN1
SCHEMBL10642595 0.89 KDM4E (0.69) KDM4EKCNE1KCNQ1CYP3A4MEN1
SCHEMBL10642591 0.89 KDM4E (0.69) KDM4EKCNE1KCNQ1CYP3A4MEN1
SCHEMBL226242 0.88 KDM4E (1.00) KDM4EKCNE1KCNQ1CYP3A4MEN1
SCHEMBL29598369 0.88 KDM4E (1.00) KDM4EKCNE1KCNQ1CYP3A4MEN1
SCHEMBL9398720 0.88 KDM4E (0.78) KDM4EKCNE1KCNQ1CYP3A4MEN1
SCHEMBL9398742 0.88 KDM4E (0.78) KDM4EKCNE1KCNQ1CYP3A4MEN1
SCHEMBL2266866 0.88 KDM4E (1.00) 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0176689-B1 BENZOPYRAN COMPOUNDS FOR THE TREATMENT OF SMOOTH MUSCLES CONTRACTION BEECHAM GROUP PLC (GB) 1992-04-01 EP claimed
EP-0095316-B1 PHARMACEUTICALLY ACTIVE AMINOBENZOPYRANS BEECHAM GROUP PLC (GB) 1986-12-03 EP claimed
EP-0176689-A2 Benzopyran compounds for the treatment of smooth muscles contraction BEECHAM GROUP PLC (GB) 1986-04-09 EP claimed
EP-0095316-A1 Pharmaceutically active aminobenzopyrans BEECHAM GROUP PLC (GB) 1983-11-30 EP claimed
EP-0176689-B1 BENZOPYRAN COMPOUNDS FOR THE TREATMENT OF SMOOTH MUSCLES CONTRACTION BEECHAM GROUP PLC (GB) 1992-04-01 EP disclosed
US-4786639-A ADMINISTERING BENZOPYRAN DERIVATIVES BEECHAM GROUP P.L.C. (GB) 1988-11-22 US disclosed
EP-0095316-B1 PHARMACEUTICALLY ACTIVE AMINOBENZOPYRANS BEECHAM GROUP PLC (GB) 1986-12-03 EP disclosed
US-4568692-A LOWERING BLOOD PRESSURE BEECHAM GROUP P.L.C. 1986-02-04 US disclosed
US-4481214-A 4-Acylaminobenzopyrans useful as anti-hypertensive agents BEECHAM GROUP P.L.C. (GB) 1984-11-06 US disclosed
EP-0095316-A1 Pharmaceutically active aminobenzopyrans BEECHAM GROUP PLC (GB) 1983-11-30 EP disclosed