SCHEMBL9687937

SCHEMBL9687937

Nc1ccc(CCCCCC[O])c(N)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 2/20 0.34
MAPT P10636 5/20 0.34
TDP1 Q9NUW8 3/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
PKM P14618 2/20 0.34
KDM4E B2RXH2 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TSHR P16473 3/20 0.33
HTT P42858 3/20 0.32
GAA P10253 2/20 0.32
MAPK1 P28482 1/20 0.32
SRC P12931 1/20 0.32
MAOB P27338 2/20 0.31
TP53 P04637 2/20 0.30
CYP3A4 P08684 1/20 0.30
ALOX5 P09917 1/20 0.30
TYR P14679 1/20 0.30
ALOX15 P16050 1/20 0.30
USP2 O75604 1/20 0.30

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
SCHEMBL10894932 0.88 CASP1 (0.42) CASP1MAPTTDP1MEN1KMT2A
Hydrochloric Acid SCHEMBL10893099 0.86 CASP1 (0.41) CASP1MAPTTDP1MEN1KMT2A
SCHEMBL29377795 0.83 CASP1 (0.42) CASP1MAPTTDP1MEN1KMT2A
SCHEMBL126188 0.83 CASP1 (0.42) CASP1MAPTTDP1MEN1KMT2A
Hydrochloric Acid SCHEMBL5240582 0.81 CASP1 (0.41) CASP1MAPTTDP1MEN1KMT2A
SCHEMBL14674256 0.81 CASP1 (0.34) CASP1MAPTTDP1MEN1KMT2A
SCHEMBL7568808 0.81 MAPT (0.49) CASP1MAPTTDP1MEN1KMT2A
SCHEMBL2671870 0.81 CASP1 (0.34) CASP1MAPTTDP1MEN1KMT2A
SCHEMBL9025493 0.81 MAPT (0.49) CASP1MAPTTDP1MEN1KMT2A
SCHEMBL10635917 0.81 MAPT (0.49) CASP1MAPTTDP1MEN1KMT2A

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