SCHEMBL9205226

SCHEMBL9205226

Cn1c(NCCNCCO)cc(=O)n(C)c1=O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.64
CYP1A2 P05177 1/20 0.60
NPSR1 Q6W5P4 2/20 0.59
HSD17B10 Q99714 2/20 0.59
POLB P06746 1/20 0.59
TSHR P16473 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
TAAR1 Q96RJ0 1/20 0.55
SMN1; SMN2 Q16637 3/20 0.50
HPGD P15428 1/20 0.50
ALDH1A1 P00352 3/20 0.46
MAPT P10636 1/20 0.46
SLC22A2 O15244 1/20 0.45
ADRB1 P08588 1/20 0.45
SLC6A4 P31645 1/20 0.45
KCNH2 Q12809 1/20 0.45
SLC47A2 Q86VL8 1/20 0.45
SLC47A1 Q96FL8 1/20 0.45
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL9205218 0.90 MAPK1 (0.72) MAPK1CYP1A2NPSR1HSD17B10POLB
SCHEMBL9199477 0.84 MAPK1 (0.73) MAPK1CYP1A2NPSR1HSD17B10POLB
SCHEMBL11624265 0.84 CYP1A2 (0.73) MAPK1CYP1A2NPSR1HSD17B10POLB
SCHEMBL19537838 0.78 CYP1A2 (0.81) MAPK1CYP1A2NPSR1HSD17B10POLB
SCHEMBL9385550 0.78 CYP1A2 (0.73) MAPK1CYP1A2NPSR1HSD17B10POLB
SCHEMBL11622591 0.77 MAPK1 (0.72) MAPK1CYP1A2NPSR1HSD17B10POLB
SCHEMBL9386259 0.77 MAPK1 (0.72) MAPK1CYP1A2NPSR1HSD17B10POLB
SCHEMBL11485825 0.77 SMN1; SMN2 (0.76) MAPK1CYP1A2NPSR1HSD17B10POLB
SCHEMBL9428569 0.76 TAAR1 (0.60) MAPK1CYP1A2NPSR1HSD17B10POLB
SCHEMBL19538089 0.76 MAPK1 (0.70) MAPK1CYP1A2NPSR1HSD17B10POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0430693-B1 Pyrimidinedione derivative compounds, method for preparing same, and antiarrhythmic agents containing same MITSUI TOATSU CHEMICALS (JP) 1995-05-31 EP disclosed
EP-0369627-B1 Pyrimidinedione derivative compounds, method of producing the same and antiarrythmic agents containing the same MITSUI TOATSU CHEMICALS (JP) 1994-12-21 EP disclosed
US-5114941-A PYRIMIDINEDIONE DERIVATIVE COMPOUNDS, METHOD FOR PREPARING SAME, AND ANTIARRYTHMIC AGENTS CONTAINING SAME MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1992-05-19 US disclosed
EP-0430693-A2 Pyrimidinedione derivative compounds, method for preparing same, and antiarrhythmic agents containing same MITSUI TOATSU CHEMICALS, Inc. (JP) 1991-06-05 EP disclosed
US-5008267-A Pyrimidinedione compounds, method of producing the same and antiarrythmic agents containing the same MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1991-04-16 US disclosed
EP-0369627-A2 Pyrimidinedione derivative compounds, method of producing the same and antiarrythmic agents containing the same MITSUI TOATSU CHEMICALS, Inc. (JP) 1990-05-23 EP disclosed