SCHEMBL9565113

SCHEMBL9565113

CC1(C)C(=O)c2ccc(C#N)cc2[C@@H](N)[C@@H]1O

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 8/20 0.40
KDM4E B2RXH2 1/20 0.38
ABCC8 Q09428 2/20 0.37
KCNJ11 Q14654 2/20 0.37
KCNJ8 Q15842 2/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2D6 P10635 2/20 0.37
CYP2C19 P33261 2/20 0.37
CYP2C9 P11712 1/20 0.37
LMNA P02545 1/20 0.37
ABCB1 P08183 5/20 0.36
KCNE1 P15382 3/20 0.36
KCNQ1 P51787 3/20 0.36
MEN1 O00255 1/20 0.36
CYP3A4 P08684 1/20 0.36
KMT2A Q03164 1/20 0.36
KCND3 Q9UK17 1/20 0.36
KDM1A O60341 1/20 0.35
MAOA P21397 1/20 0.35

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
SCHEMBL9588183 1.00 ABCC9 (0.40) ABCC9KDM4EABCC8KCNJ11KCNJ8
SCHEMBL9032326 0.79 KDM4E (0.39) ABCC9KDM4EABCC8KCNJ11KCNJ8
SCHEMBL9032334 0.79 KDM4E (0.39) ABCC9KDM4EABCC8KCNJ11KCNJ8
SCHEMBL9032328 0.79 KDM4E (0.39) ABCC9KDM4EABCC8KCNJ11KCNJ8
SCHEMBL9565138 0.79 ABCC9 (0.46) ABCC9KDM4EABCB1
SCHEMBL9565140 0.79 ABCC9 (0.46) ABCC9KDM4EABCB1
SCHEMBL9565139 0.79 ABCC9 (0.46) ABCC9KDM4EABCB1
SCHEMBL9587883 0.78 CA1 (0.41) KCNE1KCNQ1KDM1A
SCHEMBL9703829 0.78 CA1 (0.41) KCNE1KCNQ1KDM1A
SCHEMBL9588047 0.78 CA1 (0.41) KDM4ECYP1A2LMNAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0525768-A1 Tetralones with pharmacological activity J. URIACH & CIA. S.A. (ES) 1993-02-03 EP disclosed
EP-0489300-A2 Tetralones with pharmacological activity J. URIACH & CIA. S.A. (ES) 1992-06-10 EP disclosed