SCHEMBL9388443

SCHEMBL9388443

CCNCCCNc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.67
ALDH1A1 P00352 9/20 0.64
SMN1; SMN2 Q16637 3/20 0.64
GLA P06280 2/20 0.64
KDM4E B2RXH2 2/20 0.59
HPGD P15428 1/20 0.57
ALOX12 P18054 1/20 0.57
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
GAA P10253 2/20 0.57
PKM P14618 1/20 0.49
RAB9A P51151 1/20 0.49
RECQL P46063 1/20 0.49
HSD17B10 Q99714 1/20 0.49
POLB P06746 1/20 0.48
CHRM2 P08172 1/20 0.47
HTT P42858 2/20 0.47
LMNA P02545 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
SCHEMBL9385249 0.90 MAPT (0.71) MAPTALDH1A1SMN1; SMN2GLAKDM4E
SCHEMBL4951837 0.88 ALDH1A1 (0.73) MAPTALDH1A1SMN1; SMN2GLAKDM4E
SCHEMBL9651956 0.85 MAPT (0.68) MAPTALDH1A1SMN1; SMN2GLAKDM4E
SCHEMBL1046139 0.83 MAPT (0.66) MAPTALDH1A1SMN1; SMN2GLAKDM4E
Diethylamine SCHEMBL28410463 0.83 MAPT (0.89) MAPTALDH1A1SMN1; SMN2GLAKDM4E
SCHEMBL14117517 0.83 ALDH1A1 (0.66) MAPTALDH1A1SMN1; SMN2GLAKDM4E
SCHEMBL18549022 0.83 ALDH1A1 (0.66) MAPTALDH1A1SMN1; SMN2GLAKDM4E
SCHEMBL3989486 0.83 ALDH1A1 (0.58) MAPTALDH1A1SMN1; SMN2GLAKDM4E
SCHEMBL3476585 0.82 MAPT (0.64) MAPTALDH1A1SMN1; SMN2GLAKDM4E
SCHEMBL3476080 0.82 MAPT (0.64) MAPTALDH1A1SMN1; SMN2GLAKDM4E

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