SCHEMBL8665101

SCHEMBL8665101

CC(C)(CO)Nc1c(C(N)c2ccc(C#N)cc2)c(=O)c1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 4/20 0.37
KCNJ11 Q14654 4/20 0.37
ABCC8 Q09428 1/20 0.37
KCNJ8 Q15842 1/20 0.37
GRIA1 P42261 1/20 0.36
GRIA2 P42262 1/20 0.36
GRIA3 P42263 1/20 0.36
GRIA4 P48058 1/20 0.36
SCN9A Q15858 1/20 0.33
HTT P42858 1/20 0.33
KDM4E B2RXH2 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HSD11B1 P28845 1/20 0.32
EPHX2 P34913 1/20 0.32
BCDIN3D Q7Z5W3 1/20 0.31
CXCR2 P25025 2/20 0.31
PRSS1 P07477 1/20 0.31
CTSG P08311 1/20 0.31

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
SCHEMBL8622441 0.82 PDK1 (0.38) ABCC9KCNJ11ABCC8KCNJ8SCN9A
SCHEMBL8667527 0.77 ABCC9 (0.51) ABCC9KCNJ11ABCC8KCNJ8GRIA1
SCHEMBL8668084 0.75 GRIA1 (0.39) ABCC9KCNJ11ABCC8KCNJ8GRIA1
SCHEMBL7894240 0.75 LOXL2 (0.45) ABCC9KCNJ11ABCC8KCNJ8SCN9A
SCHEMBL8664139 0.74 ABCC9 (0.37) ABCC9KCNJ11ABCC8KCNJ8GRIA1
SCHEMBL8666923 0.72 CYP19A1 (0.32) ABCC9KCNJ11ABCC8KCNJ8GRIA1
SCHEMBL8624266 0.71 AR (0.33) ABCC9KCNJ11ABCC8KCNJ8
SCHEMBL4261010 0.71 ABCC9 (0.40) ABCC9KCNJ11ABCC8KCNJ8HSD11B1
SCHEMBL8420712 0.69 ABCC9 (0.39) ABCC9KCNJ11ABCC8KCNJ8
SCHEMBL7898359 0.68 P2RX7 (0.44) ABCC9KCNJ11ABCC8KCNJ8HTT

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
US-5846999-A Substituted N-arylmethylamino derivatives of cyclobutene-3,4-diones AMERICAN HOME PRODUCTS CORPORATION (US) 1998-12-08 US claimed
US-5846999-A Substituted N-arylmethylamino derivatives of cyclobutene-3,4-diones AMERICAN HOME PRODUCTS CORPORATION (US) 1998-12-08 US disclosed