SCHEMBL7814727

SCHEMBL7814727

O=C1CCCC2=C1C(c1cccc([N+](=O)[O-])c1)C1=C(CCCC1=O)N2

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 10/20 0.60
ABCC8 Q09428 10/20 0.60
KCNJ11 Q14654 10/20 0.60
KCNJ8 Q15842 10/20 0.60
GPR174 Q9BXC1 4/20 0.57
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
MAPT P10636 2/20 0.50
GAA P10253 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
TDP1 Q9NUW8 1/20 0.46
LMNA P02545 1/20 0.46

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
SCHEMBL6928301 0.92 ABCC9 (0.50) ABCC9ABCC8KCNJ11KCNJ8GPR174
SCHEMBL7835693 0.92 ABCC9 (0.52) ABCC9ABCC8KCNJ11KCNJ8GPR174
SCHEMBL6436430 0.88 MEN1 (0.48) ABCC9ABCC8KCNJ11KCNJ8GPR174
SCHEMBL6904653 0.88 MEN1 (0.48) ABCC9ABCC8KCNJ11KCNJ8GPR174
SCHEMBL7947122 0.87 ABCC9 (0.65) ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL5227900 0.85 MEN1 (0.53) ABCC9ABCC8KCNJ11KCNJ8MEN1
SCHEMBL8878451 0.85 KDM4E (0.65) ABCC9ABCC8KCNJ11KCNJ8GPR174
SCHEMBL7833415 0.85 ALDH1A1 (0.54) ABCC9ABCC8KCNJ11KCNJ8MEN1
SCHEMBL6910323 0.84 MEN1 (0.49) ABCC9ABCC8KCNJ11KCNJ8GPR174
SCHEMBL7097522 0.83 ABCC9 (0.57) ABCC9ABCC8KCNJ11KCNJ8GPR174

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0539154-B1 Acridine-1,8-dione-derivatives as therapeutic agents ZENECA LTD (GB) 1997-12-29 EP claimed
US-5340819-A Method for treating urinary incontinence using 9-(3-nitrophenyl)-3,4,6,7,9,10-hexahydro-1,8-(2H,5H) acridinedione IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1994-08-23 US claimed
EP-0539154-A1 Acridine-1,8-dione-derivatives as therapeutic agents ZENECA LIMITED (GB) 1993-04-28 EP claimed
US-6265127-B1 1, 4-dihydrophyridine charge control agents for electrostatographic toners and developers EASTMAN KODAK COMPANY 2001-07-24 US disclosed
EP-1109070-A2 1,4-Dihydropyridine charge control agents for electrostatographic toners and developers EASTMAN KODAK COMPANY (US) 2001-06-20 EP disclosed
EP-0665834-B1 QUINOLONE AND ACRIDINONE DERIVATIVES FOR THE TREATMENT OF URINARY INCONTINENCE ASTRAZENECA AB (SE) 2001-05-30 EP disclosed
US-5622964-A ADMINISTERING 4,6,7,8-TETRAHYDRO-5(1H)-QUINOLONE DERIVATIVE TO TREAT ASTHMA IN MAMMALS ZENECA LIMITED (GB) 1997-04-22 US disclosed
US-5455253-A For urinary incontinence ZENECA LIMITED (GB) 1995-10-03 US disclosed
EP-0665834-A1 QUINOLONE AND ACRIDINONE DERIVATIVES FOR THE TREATMENT OF URINARY INCONTINENCE ZENECA LIMITED (GB) 1995-08-09 EP disclosed
WO-1994008966-A1 QUINOLONE AND ACRIDINONE DERIVATIVES FOR THE TREATMENT OF URINARY INCONTINENCE ZENECA LIMITED (GB) 1994-04-28 WO disclosed
US-4021434-A CEREBRAL VASODILATORS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JA) 1977-05-03 US disclosed