SCHEMBL9384185

SCHEMBL9384185

Cn1c(NCCNc2ccc([N+](=O)[O-])cc2C(=O)c2ccccc2)cc(=O)n(C)c1=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.51
CDK2 P24941 7/20 0.49
ALDH1A1 P00352 6/20 0.49
KMT2A Q03164 4/20 0.49
MEN1 O00255 3/20 0.49
LMNA P02545 3/20 0.49
MAPK1 P28482 2/20 0.49
NPC1 O15118 1/20 0.49
TRPA1 O75762 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
TSHR P16473 1/20 0.49
THPO P40225 1/20 0.49
BLM P54132 1/20 0.49
PMP22 Q01453 1/20 0.49
HSD17B10 Q99714 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
GAA P10253 2/20 0.47
TAAR1 Q96RJ0 1/20 0.47
SLC22A2 O15244 1/20 0.47

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 SCHEMBL9384819 0.98 MAPT (0.49) MAPTCDK2ALDH1A1KMT2AMEN1
Oxalic Acid SCHEMBL9384824 0.98 MAPT (0.49) MAPTCDK2ALDH1A1KMT2AMEN1
SCHEMBL9384217 0.96 CDK2 (0.53) MAPTCDK2ALDH1A1KMT2AMEN1
Oxalic Acid SCHEMBL9385284 0.94 CDK2 (0.51) MAPTCDK2ALDH1A1KMT2AMEN1
Oxalic Acid SCHEMBL9385282 0.94 CDK2 (0.51) MAPTCDK2ALDH1A1KMT2AMEN1
SCHEMBL9382923 0.89 MAPT (0.47) MAPTCDK2ALDH1A1KMT2AMEN1
SCHEMBL9385066 0.87 CYP19A1 (0.47) MAPTCDK2ALDH1A1KMT2AMEN1
SCHEMBL9388630 0.86 MAPT (0.46) MAPTCDK2ALDH1A1KMT2AMEN1
Oxalic Acid SCHEMBL9383591 0.85 MAPT (0.44) MAPTCDK2ALDH1A1KMT2AMEN1
Oxalic Acid SCHEMBL9383584 0.85 MAPT (0.44) MAPTCDK2ALDH1A1KMT2AMEN1

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