SCHEMBL9385398

SCHEMBL9385398

Cn1c(N2CCN(CC(O)CNc3ccc([N+](=O)[O-])cc3)CC2)cc(=O)n(C)c1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 2/20 0.39
IGF1R P08069 1/20 0.39
KCNH2 Q12809 2/20 0.39
SLC22A2 O15244 1/20 0.39
ADRB1 P08588 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC47A2 Q86VL8 1/20 0.39
SLC47A1 Q96FL8 1/20 0.39
ADRA1D P25100 1/20 0.39
ADRA1A P35348 1/20 0.39
HTR1A P08908 1/20 0.37
POLB P06746 2/20 0.37
KCNJ1 P48048 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
Oxalic Acid SCHEMBL9389932 0.96 TDP1 (0.41) ALDH1A1MAPTHTTTDP1KMT2A
SCHEMBL9389934 0.86 ALDH1A1 (0.38) ALDH1A1MAPTHTTTDP1KMT2A
SCHEMBL9385825 0.83 IGF1R (0.58) ALDH1A1MAPTHTTTDP1KMT2A
SCHEMBL10492780 0.82 MAPT (0.64) ALDH1A1MAPTHTTTDP1KMT2A
Hydrochloric Acid SCHEMBL9383884 0.82 IGF1R (0.57) ALDH1A1MAPTHTTTDP1KMT2A
SCHEMBL9388850 0.82 KMT2A (0.48) ALDH1A1MAPTKMT2AMEN1LMNA
Oxalic Acid SCHEMBL9384532 0.82 TDP1 (0.43) ALDH1A1MAPTHTTTDP1KMT2A
Hydrochloric Acid SCHEMBL9383787 0.81 KMT2A (0.47) ALDH1A1MAPTKMT2AMEN1LMNA
SCHEMBL9384406 0.79 LMNA (0.61) ALDH1A1MAPTHTTKMT2AMEN1
SCHEMBL9387165 0.77 CASP1 (0.52) ALDH1A1MAPTKMT2AMEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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