SCHEMBL9220525

SCHEMBL9220525

CCNC(=O)NC1C(O)c2cc(C#N)ccc2OC1(C)C

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 7/20 0.53
KDM4E B2RXH2 1/20 0.53
KCNE1 P15382 3/20 0.50
KCNQ1 P51787 3/20 0.50
MEN1 O00255 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C19 P33261 1/20 0.50
KMT2A Q03164 1/20 0.50
KCND3 Q9UK17 1/20 0.50
ABCB1 P08183 9/20 0.49

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
SCHEMBL9220532 1.00 ABCC9 (0.53) ABCC9KDM4EKCNE1KCNQ1MEN1
SCHEMBL9212275 0.92 ABCC9 (0.52) ABCC9KDM4EKCNE1KCNQ1MEN1
SCHEMBL9214323 0.88 ABCC9 (0.56) ABCC9KDM4EKCNE1KCNQ1ABCB1
SCHEMBL9214331 0.88 ABCC9 (0.56) ABCC9KDM4EKCNE1KCNQ1ABCB1
SCHEMBL9211412 0.85 ABCC9 (0.61) ABCC9KDM4EKCNE1KCNQ1ABCB1
SCHEMBL9211421 0.85 ABCC9 (0.61) ABCC9KDM4EKCNE1KCNQ1ABCB1
SCHEMBL9211433 0.85 ABCC9 (0.61) ABCC9KDM4EKCNE1KCNQ1ABCB1
SCHEMBL9216472 0.85 ABCC9 (0.53) ABCC9KDM4EABCB1
SCHEMBL9213480 0.85 ABCB1 (0.54) ABCC9KDM4EABCB1
SCHEMBL9213473 0.85 ABCB1 (0.54) ABCC9KDM4EABCB1

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
EP-0375449-B1 Benzopyran-type compounds BEECHAM GROUP PLC (GB) 1995-02-15 EP claimed
EP-0375449-A2 Benzopyran-type compounds BEECHAM GROUP PLC (GB) 1990-06-27 EP claimed
EP-0375449-B1 Benzopyran-type compounds BEECHAM GROUP PLC (GB) 1995-02-15 EP disclosed
EP-0375449-A2 Benzopyran-type compounds BEECHAM GROUP PLC (GB) 1990-06-27 EP disclosed