SCHEMBL9530286

SCHEMBL9530286

CC1(C)Oc2ccc(F)cc2C(N)C1O

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KCNE1 P15382 5/20 0.53
KCNQ1 P51787 5/20 0.53
ABCC9 O60706 3/20 0.40
KDM4E B2RXH2 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
ABCB1 P08183 1/20 0.35
HIF1A Q16665 1/20 0.35
KDM1A O60341 2/20 0.34
KDM1B Q8NB78 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
SCHEMBL9530280 1.00 KCNE1 (0.53) KCNE1KCNQ1ABCC9KDM4EL3MBTL1
SCHEMBL9530297 1.00 KCNE1 (0.53) KCNE1KCNQ1ABCC9KDM4EL3MBTL1
SCHEMBL9197844 0.82 HTR1A (0.39) KCNE1KCNQ1ABCC9KDM4EL3MBTL1
SCHEMBL9197856 0.82 HTR1A (0.39) KCNE1KCNQ1ABCC9KDM4EL3MBTL1
SCHEMBL9197846 0.82 HTR1A (0.39) KCNE1KCNQ1ABCC9KDM4EL3MBTL1
SCHEMBL9032544 0.81 KCNE1 (0.56) KCNE1KCNQ1ABCC9
SCHEMBL9198451 0.81 KCNE1 (0.37) KCNE1KCNQ1ABCC9KDM4EL3MBTL1
SCHEMBL8946767 0.81 KCNE1 (0.37) KCNE1KCNQ1ABCC9KDM4EL3MBTL1
SCHEMBL9198446 0.81 KCNE1 (0.37) KCNE1KCNQ1ABCC9KDM4EL3MBTL1
SCHEMBL8946770 0.81 KCNE1 (0.37) KCNE1KCNQ1ABCC9KDM4EL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0536424-A1 NOVEL BENZOPYRAN DERIVATIVE Japan Tobacco Inc. (JP) 1993-04-14 EP disclosed