SCHEMBL9687391

SCHEMBL9687391

CCOc1ccc(CNC(=O)c2[nH]c(=O)c(CC(C)C)[n+]([O-])c2OC)c(OCC)c1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.39
TAS1R3 Q7RTX0 2/20 0.37
TAS1R1 Q7RTX1 2/20 0.37
HTT P42858 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 2/20 0.35
TSHR P16473 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MAPT P10636 3/20 0.35
TP53 P04637 2/20 0.34
RXFP1 Q9HBX9 2/20 0.34
POLB P06746 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
GAA P10253 1/20 0.34
PKM P14618 1/20 0.34
ROCK2 O75116 1/20 0.33
ROCK1 Q13464 1/20 0.33

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
SCHEMBL9687409 0.80 LMNA (0.43) HTTTSHRMAPTMEN1KMT2A
SCHEMBL9687941 0.78 EZH2 (0.40) HPGDHTTSMN1; SMN2NPC1MEN1
SCHEMBL9687454 0.77 MEN1 (0.39) HTTALDH1A1MAPTMEN1KMT2A
SCHEMBL9686935 0.73 CNR1 (0.47) ALDH1A1MAPTTP53POLBROCK2
SCHEMBL23159263 0.65 KDM4E (0.46) HPGDNPC1ALDH1A1TSHRNPSR1
SCHEMBL18971053 0.64 TAS1R3 (0.57) HPGDTAS1R3TAS1R1HTTALDH1A1
SCHEMBL9164491 0.63 ALDH1A1 (0.34) HTTSMN1; SMN2NPC1ALDH1A1TSHR
SCHEMBL9687418 0.62 POLB (0.34) SMN1; SMN2MAPTPOLBMEN1KMT2A
SCHEMBL9160957 0.59 SMN1; SMN2 (0.33) SMN1; SMN2TSHRMEN1KMT2A
SCHEMBL13990807 0.59 KDM4E (0.56) HPGDNPC1ALDH1A1TSHRNPSR1

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-0511879-A1 Pyrazine derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-11-04 EP disclosed