SCHEMBL4265265

SCHEMBL4265265

c1cc(-c2csc(C3CCNCC3)n2)ccn1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.61
MKNK1 Q9BUB5 1/20 0.52
MKNK2 Q9HBH9 1/20 0.52
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
BAZ2A Q9UIF9 1/20 0.44
HSD11B1 P28845 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
MAPK13 O15264 1/20 0.42
RAF1 P04049 1/20 0.42
MAPK9 P45984 1/20 0.42
MAPK12 P53778 1/20 0.42
MAPK11 Q15759 1/20 0.42
MAPK14 Q16539 1/20 0.42
KDM4E B2RXH2 5/20 0.41
AR P10275 2/20 0.41
CYP19A1 P11511 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.40
ALDH1A1 P00352 2/20 0.40
GAA P10253 1/20 0.40

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
Bromide SCHEMBL2984301 0.98 HPGDS (0.60) HPGDSMKNK1MKNK2KMT2AMEN1
SCHEMBL2636212 0.91 HPGDS (0.52) HPGDSMKNK1MKNK2KMT2ABAZ2A
SCHEMBL2297392 0.88 HPGDS (0.78) HPGDSKMT2AMEN1BAZ2AL3MBTL1
Hydrochloric Acid SCHEMBL1653092 0.86 HPGDS (0.76) HPGDSKMT2AMEN1BAZ2AL3MBTL1
Hydrochloric Acid SCHEMBL3768256 0.86 HPGDS (0.76) HPGDSKMT2AMEN1BAZ2AL3MBTL1
Bromide SCHEMBL2973216 0.86 HPGDS (0.76) HPGDSKMT2AMEN1BAZ2AL3MBTL1
SCHEMBL12791652 0.85 HSD11B1 (0.48) HPGDSKMT2AHSD11B1L3MBTL1KDM4E
SCHEMBL4262100 0.85 HPGDS (0.59) HPGDSKMT2AMEN1BAZ2AL3MBTL1
SCHEMBL4259512 0.85 HPGDS (0.59) HPGDSKMT2AMEN1BAZ2AL3MBTL1
SCHEMBL3772350 0.85 HPGDS (0.59) HPGDSMKNK1MKNK2KMT2AMEN1

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
EP-1945635-B1 THIAZOLYL PIPERIDINE DERIVATIVES USEFUL AS H3 RECEPTOR MODULATORS HOFFMANN LA ROCHE (CH) 2009-05-06 EP disclosed
CN-101243078-A Thiazolyl piperidine derivatives useful as h3 receptor modulators HOFFMANN LA ROCHE (CH) 2008-08-13 CN disclosed