SCHEMBL6024203

SCHEMBL6024203

CCc1cc(C#N)ccc1Nc1c(NC(C)C(C)(C)C)c(=O)c1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 1/20 1.00
ABCC8 Q09428 1/20 1.00
KCNJ11 Q14654 1/20 1.00
KCNJ8 Q15842 1/20 1.00
PLK1 P53350 11/20 0.47
CHEK1 O14757 3/20 0.45
CDC7 O00311 2/20 0.45
PLK4 O00444 2/20 0.45
DAPK3 O43293 2/20 0.45
ROCK2 O75116 2/20 0.45
CHEK2 O96017 2/20 0.45
PIM1 P11309 2/20 0.45
GSK3A P49840 2/20 0.45
GSK3B P49841 2/20 0.45
PRKX P51817 2/20 0.45
CSNK1G2 P78368 2/20 0.45
PRKCZ Q05513 2/20 0.45
ROCK1 Q13464 2/20 0.45
PKN2 Q16513 2/20 0.45
CDC42BPA Q5VT25 2/20 0.45

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
SCHEMBL4258934 1.00 ABCC9 (1.00) ABCC9ABCC8KCNJ11KCNJ8PLK1
SCHEMBL8587558 0.84 ABCC9 (0.73) ABCC9ABCC8KCNJ11KCNJ8PLK1
SCHEMBL8609262 0.84 ABCC9 (0.73) ABCC9ABCC8KCNJ11KCNJ8PLK1
SCHEMBL8870945 0.84 ABCC9 (0.72) ABCC9ABCC8KCNJ11KCNJ8PLK1
SCHEMBL8870947 0.84 ABCC9 (0.72) ABCC9ABCC8KCNJ11KCNJ8PLK1
SCHEMBL7887074 0.83 ABCC9 (0.71) ABCC9ABCC8KCNJ11KCNJ8PLK1
SCHEMBL8670505 0.82 ABCC9 (0.70) ABCC9ABCC8KCNJ11KCNJ8PLK1
SCHEMBL8670509 0.82 ABCC9 (0.70) ABCC9ABCC8KCNJ11KCNJ8PLK1
SCHEMBL7347226 0.78 PLK1 (0.67) ABCC9ABCC8KCNJ11KCNJ8PLK1
SCHEMBL8372683 0.78 PLK1 (0.67) 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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0729457-B1 DIAMINOCYCLOBUTENE-3,4-DIONES AS SMOOTH MUSCLE RELAXANTS AMERICAN HOME PROD (US) 1998-12-23 EP claimed
EP-0729457-A1 DIAMINOCYCLOBUTENE-3,4-DIONES AS SMOOTH MUSCLE RELAXANTS AMERICAN HOME PRODUCTS CORPORATION (US) 1996-09-04 EP claimed
US-5506252-A MUSCLE RELAXANTS AMERICAN HOME PRODUCTS CORPORATION (US) 1996-04-09 US claimed
WO-1995014005-A1 DIAMINOCYCLOBUTENE-3,4-DIONES AS SMOOTH MUSCLE RELAXANTS AMERICAN HOME PRODUCTS CORPORATION (US) 1995-05-26 WO claimed
US-8591947-B2 Dual controlled release dosage form Osmotica Kereskedelmi és Szolgáltató KFT (HU) 2013-11-26 US disclosed
US-20130108693-A1 Dual Controlled Release Dosage Form OSMOTICA KERESKEDELMI ES SZOLGALTATO KFT (HU) 2013-05-02 US disclosed
US-8329217-B2 Dual controlled release dosage form OSMOTICA KERESKEDELMI ES SZOLGALTATO KFT (HU) 2012-12-11 US disclosed
US-8241667-B2 Dual controlled release osmotic device Osmotica Kereskedelmi és Szolgáltató KFT (HU) 2012-08-14 US disclosed
US-20060204578-A1 Dual controlled release dosage form Osmotica Kereskedelmi és Szolgáltató KFT (HU) 2006-09-14 US disclosed
US-20060177510-A1 Dual controlled release osmotic device ACELLA HOLDINGS, LLC 2006-08-10 US disclosed
US-20030185882-A1 Pharmaceutical compositions containing oxybutynin OSMOTICA KERESKEDELMI ES SZOLGALTATO KFT (HU) 2003-10-02 US disclosed
EP-0927034-A1 METHOD OF TREATING URINARY INCONTINENCE AMERICAN HOME PRODUCTS CORPORATION (US) 1999-07-07 EP disclosed
EP-0729457-B1 DIAMINOCYCLOBUTENE-3,4-DIONES AS SMOOTH MUSCLE RELAXANTS AMERICAN HOME PROD (US) 1998-12-23 EP disclosed
WO-1998011888-A1 METHOD OF TREATING URINARY INCONTINENCE AMERICAN HOME PRODUCTS CORPORATION (US) 1998-03-26 WO disclosed
EP-0796243-A1 DIAMINOCYCLOBUTENE-3,4-DIONES AMERICAN HOME PRODUCTS CORPORATION (US) 1997-09-24 EP disclosed
EP-0729457-A1 DIAMINOCYCLOBUTENE-3,4-DIONES AS SMOOTH MUSCLE RELAXANTS AMERICAN HOME PRODUCTS CORPORATION (US) 1996-09-04 EP disclosed
US-5530025-A SMOOTH MUSCLE RELAXANTS AMERICAN HOME PRODUCTS CORPORATION (US) 1996-06-25 US disclosed
WO-1996015103-A1 DIAMINOCYCLOBUTENE-3,4-DIONES AMERICAN HOME PRODUCTS CORPORATION (US) 1996-05-23 WO disclosed
US-5506252-A MUSCLE RELAXANTS AMERICAN HOME PRODUCTS CORPORATION (US) 1996-04-09 US disclosed
WO-1995014005-A1 DIAMINOCYCLOBUTENE-3,4-DIONES AS SMOOTH MUSCLE RELAXANTS AMERICAN HOME PRODUCTS CORPORATION (US) 1995-05-26 WO disclosed