SCHEMBL5236802

SCHEMBL5236802

NCCCCCCC1CCCN(C(=O)OCc2ccccc2)C1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.51
CYP2C19 P33261 1/20 0.51
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
LCK P06239 1/20 0.46
FAAH O00519 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
GRIN2B Q13224 3/20 0.44
JAK2 O60674 2/20 0.44
JAK1 P23458 2/20 0.44
TYK2 P29597 2/20 0.44
JAK3 P52333 2/20 0.44
CXCR4 P61073 1/20 0.44
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
BCL9 O00512 1/20 0.43
CTNNB1 P35222 1/20 0.43
PDE4B Q07343 1/20 0.43

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
SCHEMBL7511959 0.91 SMN1; SMN2 (0.55) SMN1; SMN2CYP2C19NPC1RAB9ALCK
SCHEMBL30924501 0.91 SMN1; SMN2 (0.55) SMN1; SMN2CYP2C19NPC1RAB9ALCK
SCHEMBL1842921 0.90 SMN1; SMN2 (0.51) SMN1; SMN2CYP2C19NPC1RAB9ALCK
SCHEMBL1839555 0.89 SMN1; SMN2 (0.50) SMN1; SMN2CYP2C19NPC1RAB9ALCK
SCHEMBL1838982 0.89 SMN1; SMN2 (0.52) SMN1; SMN2CYP2C19NPC1RAB9ALCK
SCHEMBL1842194 0.88 SMN1; SMN2 (0.51) SMN1; SMN2CYP2C19NPC1RAB9ALCK
SCHEMBL1841979 0.87 SMN1; SMN2 (0.53) SMN1; SMN2CYP2C19NPC1RAB9ALCK
SCHEMBL1841198 0.86 SMN1; SMN2 (0.52) SMN1; SMN2CYP2C19NPC1RAB9ALCK
SCHEMBL1841160 0.86 SMN1; SMN2 (0.52) SMN1; SMN2CYP2C19NPC1RAB9ALCK
SCHEMBL736958 0.86 SMN1; SMN2 (0.57) SMN1; SMN2CYP2C19NPC1RAB9ALCK

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-1764367-A1 THIENOPYRIDINE DERIVATIVES Sankyo Company, Limited (JP) 2007-03-21 EP disclosed