SCHEMBL9428995

SCHEMBL9428995

Cn1c(N2CCN(CCc3ccccc3OS(C)(=O)=O)CC2)cc(=O)n(C)c1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.46
KCNH2 Q12809 2/20 0.45
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
KMT2A Q03164 1/20 0.44
HRH1 P35367 10/20 0.42
ADRA1A P35348 3/20 0.42
MAPT P10636 2/20 0.42
LMNA P02545 1/20 0.42
ADRB2 P07550 1/20 0.42
ADRB1 P08588 1/20 0.42
CYP3A4 P08684 1/20 0.42
HTR1A P08908 1/20 0.42
ADRA2A P08913 1/20 0.42
CYP2C9 P11712 1/20 0.42
DRD2 P14416 1/20 0.42
TSHR P16473 1/20 0.42
ADRA2B P18089 1/20 0.42
ADRA2C P18825 1/20 0.42
MAPK1 P28482 1/20 0.42

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 SCHEMBL9428856 0.95 HRH1 (0.44) SIGMAR1KCNH2HRH1ADRA1AADRA1D
SCHEMBL9429479 0.84 HRH1 (0.46) SIGMAR1MEN1ALDH1A1KMT2AHRH1
SCHEMBL9429102 0.80 MEN1 (0.44) MEN1ALDH1A1KMT2AHRH1ADRA1A
SCHEMBL9429487 0.79 SIGMAR1 (0.50) SIGMAR1MEN1ALDH1A1KMT2AHRH1
SCHEMBL9428993 0.79 ALDH1A1 (0.50) SIGMAR1KCNH2MEN1ALDH1A1KMT2A
SCHEMBL9428525 0.77 MEN1 (0.48) MEN1ALDH1A1KMT2AHRH1ADRA1A
SCHEMBL9383794 0.76 SIGMAR1 (0.55) SIGMAR1MEN1ALDH1A1KMT2AHRH1
SCHEMBL9428857 0.76 HRH1 (0.48) MEN1ALDH1A1KMT2AHRH1ADRA1A
Oxalic Acid SCHEMBL9428762 0.76 HRH1 (0.44) MEN1ALDH1A1KMT2AHRH1ADRA1A
SCHEMBL9429643 0.76 MEN1 (0.55) SIGMAR1MEN1ALDH1A1KMT2AHRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5332739-A Pyrimidinedione derivatives and antiarrhythmic agents containing same MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1994-07-26 US disclosed
EP-0454498-A2 Pyrimidinedione derivatives and antiarrhythmic agents containing same MITSUI TOATSU CHEMICALS, Inc. (JP) 1991-10-30 EP disclosed