SCHEMBL8664007

SCHEMBL8664007

CC(Nc1c(Cc2ccc(C#N)cc2)c(=O)c1=O)C(C)(C)C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCC9 O60706 1/20 0.54
▸ ABCC8 Q09428 1/20 0.54
▸ KCNJ11 Q14654 1/20 0.54
▸ KCNJ8 Q15842 1/20 0.54
▸ PLK1 P53350 8/20 0.42
▸ LOXL2 Q9Y4K0 2/20 0.41
▸ CHEK1 O14757 2/20 0.40
▸ CDC7 O00311 2/20 0.40
▸ PLK4 O00444 2/20 0.40
▸ DAPK3 O43293 2/20 0.40
▸ ROCK2 O75116 2/20 0.40
▸ CHEK2 O96017 2/20 0.40
▸ PIM1 P11309 2/20 0.40
▸ GSK3A P49840 2/20 0.40
▸ GSK3B P49841 2/20 0.40
▸ PRKX P51817 2/20 0.40
▸ CSNK1G2 P78368 2/20 0.40
▸ PRKCZ Q05513 2/20 0.40
▸ ROCK1 Q13464 2/20 0.40
▸ CDC42BPA Q5VT25 2/20 0.40

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
SCHEMBL7886866 0.83 ABCC9 (0.58) ABCC9ABCC8KCNJ11KCNJ8PLK1
SCHEMBL7886860 0.83 ABCC9 (0.58) ABCC9ABCC8KCNJ11KCNJ8PLK1
SCHEMBL7894022 0.83 ABCC9 (0.58) ABCC9ABCC8KCNJ11KCNJ8PLK1
SCHEMBL7012005 0.80 PLK1 (0.47) PLK1CHEK1CDC7PLK4DAPK3
SCHEMBL7534843 0.77 ABCC9 (0.54) ABCC9ABCC8KCNJ11KCNJ8PLK1
SCHEMBL8372683 0.77 PLK1 (0.67) ABCC9ABCC8KCNJ11KCNJ8PLK1
SCHEMBL7347226 0.77 PLK1 (0.67) ABCC9ABCC8KCNJ11KCNJ8PLK1
SCHEMBL7895529 0.76 EPHX2 (0.52) ABCC9ABCC8KCNJ11KCNJ8PLK1
SCHEMBL8667527 0.74 ABCC9 (0.51) ABCC9ABCC8KCNJ11KCNJ8PLK1
SCHEMBL7536100 0.73 ABCC9 (0.50) ABCC9ABCC8KCNJ11KCNJ8PLK1

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
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