SCHEMBL9385477

SCHEMBL9385477

Cn1c(N2CCN(CCCCC(=O)Nc3ccc([N+](=O)[O-])cc3)CC2)cc(=O)n(C)c1=O

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.49
LMNA P02545 5/20 0.46
MAPT P10636 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
MAPK1 P28482 2/20 0.46
ALDH1A1 P00352 7/20 0.46
CACNA1G O43497 2/20 0.45
GAA P10253 1/20 0.44
HTT P42858 1/20 0.43
HTR1A P08908 1/20 0.43
HTR7 P34969 1/20 0.43
PDE4B Q07343 1/20 0.43
MEN1 O00255 1/20 0.43
CYP2C9 P11712 1/20 0.43
HPGD P15428 1/20 0.43
CYP2C19 P33261 1/20 0.43
HRH1 P35367 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
SCHEMBL9870796 0.90 LMNA (0.50) KMT2ALMNAMAPTSMN1; SMN2MAPK1
SCHEMBL9384406 0.88 LMNA (0.61) KMT2ALMNAMAPTSMN1; SMN2ALDH1A1
SCHEMBL9428233 0.86 CACNA1G (0.57) LMNAALDH1A1CACNA1GGAAHTR1A
Oxalic Acid SCHEMBL9384506 0.85 LMNA (0.57) KMT2ALMNAMAPTSMN1; SMN2ALDH1A1
SCHEMBL9388850 0.83 KMT2A (0.48) KMT2ALMNAMAPTSMN1; SMN2MAPK1
Hydrochloric Acid SCHEMBL9383787 0.82 KMT2A (0.47) KMT2ALMNAMAPTSMN1; SMN2MAPK1
SCHEMBL9384376 0.81 KCNJ1 (0.58) KMT2AALDH1A1MEN1HRH1
Hydrochloric Acid SCHEMBL9384359 0.80 KCNJ1 (0.57) KMT2AALDH1A1MEN1HRH1
SCHEMBL9388604 0.80 KMT2A (0.60) KMT2AMAPTALDH1A1HTR1AHTR7
SCHEMBL9385412 0.80 HRH3 (0.62) KMT2ALMNAMAPTSMN1; SMN2ALDH1A1

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 1 patent. 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