SCHEMBL20070481

SCHEMBL20070481

O=C(c1ccccn1)N1CCCN(S)CC1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.73
EPHX2 P34913 1/20 0.52
GAA P10253 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.49
HTT P42858 1/20 0.49
ALDH1A1 P00352 1/20 0.49
CHRNB2 P17787 1/20 0.49
CHRNB4 P30926 1/20 0.49
CHRNA3 P32297 1/20 0.49
CHRNA7 P36544 1/20 0.49
CHRNA4 P43681 1/20 0.49
PDE10A Q9Y233 1/20 0.47
NAMPT P43490 1/20 0.46
DRD2 P14416 2/20 0.45
PLA2G1B P04054 1/20 0.45
ATG4B Q9Y4P1 1/20 0.45
HTR2A P28223 1/20 0.45
PTK2 Q05397 1/20 0.44
RBP4 P02753 1/20 0.44
GNE Q9Y223 1/20 0.44

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
SCHEMBL20970608 0.94 L3MBTL1 (0.83) L3MBTL1EPHX2GAASMN1; SMN2HTT
SCHEMBL7955601 0.91 L3MBTL1 (0.89) L3MBTL1EPHX2GAASMN1; SMN2HTT
SCHEMBL31677824 0.89 L3MBTL1 (0.86) L3MBTL1EPHX2GAASMN1; SMN2HTT
SCHEMBL22972207 0.89 L3MBTL1 (0.86) L3MBTL1EPHX2GAASMN1; SMN2HTT
SCHEMBL18228118 0.86 L3MBTL1 (0.86) L3MBTL1EPHX2GAASMN1; SMN2HTT
SCHEMBL3390298 0.86 L3MBTL1 (0.86) L3MBTL1EPHX2GAASMN1; SMN2HTT
SCHEMBL7943306 0.86 L3MBTL1 (1.00) L3MBTL1EPHX2GAASMN1; SMN2HTT
SCHEMBL21650906 0.85 L3MBTL1 (0.73) L3MBTL1EPHX2GAASMN1; SMN2HTT
SCHEMBL2677200 0.85 L3MBTL1 (0.78) L3MBTL1EPHX2GAASMN1; SMN2HTT
SCHEMBL31305639 0.84 L3MBTL1 (0.83) L3MBTL1EPHX2GAASMN1; SMN2HTT

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
WO-2018071447-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ANDREWS STEVEN W (US) 2018-04-19 WO disclosed