SCHEMBL4735446

SCHEMBL4735446

CN1CCN(c2nc(CN(C(=O)c3ccncc3)c3ccc(F)cc3)cs2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
LMNA P02545 2/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
GAA P10253 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
GRM1 Q13255 1/20 0.38
DNM1L O00429 1/20 0.38
NPC1 O15118 1/20 0.37
TP53 P04637 1/20 0.37
RAB9A P51151 1/20 0.37
ALDH1A1 P00352 2/20 0.36
POLB P06746 1/20 0.36
MLYCD O95822 1/20 0.36

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
SCHEMBL4739654 0.90 LMNA (0.38) MAPK14SMN1; SMN2LMNAMAPTMAPK1
SCHEMBL4737103 0.89 GAA (0.43) MAPK14SMN1; SMN2LMNAMAPTMAPK1
SCHEMBL4736625 0.86 SMN1; SMN2 (0.39) MAPK14SMN1; SMN2LMNAMAPTMAPK1
SCHEMBL4738953 0.86 GAA (0.40) SMN1; SMN2LMNAMAPTMAPK1HTT
SCHEMBL3066236 0.86 SMN1; SMN2 (0.43) SMN1; SMN2LMNAMAPTMAPK1HTT
SCHEMBL3061649 0.83 SMN1; SMN2 (0.41) SMN1; SMN2LMNAMAPTMAPK1HTT
SCHEMBL3064198 0.82 SMN1; SMN2 (0.40) SMN1; SMN2LMNAMAPTMAPK1HTT
SCHEMBL3829564 0.80 ALDH1A1 (0.46) LMNAMAPTHTTL3MBTL1GAA
SCHEMBL4737001 0.80 CYP3A4 (0.37) SMN1; SMN2LMNAMAPTMAPK1HTT
SCHEMBL3824906 0.80 DNM1L (0.45) MAPTDNM1LALDH1A1HSD17B10

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-2008073461-A2 ION CHANNEL MODULATORS WYETH (US) 2008-06-19 WO claimed