SCHEMBL9532423

SCHEMBL9532423

C/C(=N\CC#N)N(C)C1CC(C)(C)Oc2ccc(C#N)cc21

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 11/20 0.43
KCNE1 P15382 4/20 0.42
KCNQ1 P51787 4/20 0.42
CYP3A4 P08684 2/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2D6 P10635 2/20 0.42
CYP2C19 P33261 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
KCND3 Q9UK17 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALOX15 P16050 1/20 0.38
ABCC9 O60706 2/20 0.37
ABCC8 Q09428 2/20 0.37
KCNJ11 Q14654 2/20 0.37
KCNJ8 Q15842 2/20 0.37
CYP2C9 P11712 1/20 0.37

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
SCHEMBL9532426 1.00 ABCB1 (0.43) ABCB1KCNE1KCNQ1CYP3A4CYP1A2
SCHEMBL9529230 0.83 KDM4E (0.54) ABCB1KCNE1KCNQ1CYP3A4CYP1A2
SCHEMBL9617701 0.76 KDM4E (0.51) ABCB1KCNE1KCNQ1CYP3A4CYP1A2
SCHEMBL9550573 0.76 KDM4E (0.51) ABCB1KCNE1KCNQ1CYP3A4CYP1A2
SCHEMBL6558723 0.75 KCNE1 (0.63) ABCB1KCNE1KCNQ1CYP3A4CYP1A2
SCHEMBL6559947 0.74 KCNE1 (0.51) ABCB1KCNE1KCNQ1CYP3A4CYP1A2
SCHEMBL6559957 0.73 KCNE1 (0.50) ABCB1KCNE1KCNQ1CYP3A4CYP1A2
SCHEMBL6559889 0.73 KCNE1 (0.54) ABCB1KCNE1KCNQ1CYP3A4CYP1A2
SCHEMBL7276900 0.72 KDM4E (0.50) ABCB1KCNE1KCNQ1CYP3A4CYP1A2
SCHEMBL6561024 0.72 KCNE1 (0.48) ABCB1KCNE1KCNQ1CYP3A4CYP1A2

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