SCHEMBL4573340

SCHEMBL4573340

CCCCOC(=O)N1CCN(C(N)=S)CC1C

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 2/20 0.43
POLB P06746 1/20 0.43
GBA2 Q9HCG7 1/20 0.40
SMYD3 Q9H7B4 5/20 0.38
PDK1 Q15118 1/20 0.37
PDK2 Q15119 1/20 0.37
PDK3 Q15120 1/20 0.37
PDK4 Q16654 1/20 0.37
ALDH1A1 P00352 3/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
MAPT P10636 3/20 0.34
CPS1 P31327 1/20 0.34
HRH2 P25021 1/20 0.34
HRH1 P35367 1/20 0.34
P2RY12 Q9H244 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL14660395 0.85 LMNA (0.46) SMN1; SMN2LMNAPOLBGBA2SMYD3
SCHEMBL27544893 0.84 LMNA (0.44) SMN1; SMN2LMNAPOLBGBA2SMYD3
SCHEMBL6906792 0.81 PDK1 (0.48) SMN1; SMN2LMNAPOLBGBA2SMYD3
SCHEMBL30287911 0.80 SMN1; SMN2 (0.59) SMN1; SMN2LMNAPOLBALDH1A1NPC1
SCHEMBL7788793 0.80 GBA2 (0.51) SMN1; SMN2LMNAPOLBGBA2ALDH1A1
SCHEMBL11399215 0.78 SMYD3 (0.43) SMN1; SMN2LMNAPOLBGBA2SMYD3
SCHEMBL22578805 0.76 POLB (0.46) SMN1; SMN2LMNAPOLBGBA2SMYD3
SCHEMBL20589075 0.75 POLB (0.49) SMN1; SMN2LMNAPOLBGBA2ALDH1A1
SCHEMBL6181767 0.75 SETD7 (0.47) SMN1; SMN2PDK1PDK2PDK3PDK4
SCHEMBL29701090 0.74 LMNA (0.44) SMN1; SMN2LMNAPOLBGBA2SMYD3

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-2009001127-A1 CYANOCYCLOPROPYLCARBOXAMIDES AS CATHEPSIN INHIBITORS ASTRAZENECA AB (SE) 2008-12-31 WO disclosed