SCHEMBL17079276

SCHEMBL17079276

COC(C)c1nnc(CCNC(=O)OCc2ccccc2)s1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.51
HTT P42858 1/20 0.48
LMNA P02545 2/20 0.47
GLS O94925 2/20 0.45
ATM Q13315 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
MAPT P10636 2/20 0.42
SLC1A3 P43003 1/20 0.42
SLC1A1 P43005 1/20 0.42
KDM4E B2RXH2 1/20 0.42
USP2 O75604 1/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TGM2 P21980 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41

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
SCHEMBL17079278 0.88 SMN1; SMN2 (0.52) SMN1; SMN2HTTLMNAGLSATM
SCHEMBL17079462 0.76 ATM (0.55) SMN1; SMN2HTTLMNAATML3MBTL1
Benzyl Phenethylcarbamate SCHEMBL4287199 0.72 LMNA (0.73) SMN1; SMN2HTTLMNAL3MBTL1MAPT
SCHEMBL6748749 0.72 SMN1; SMN2 (0.63) SMN1; SMN2HTTLMNAL3MBTL1MAPT
SCHEMBL15787506 0.72 LMNA (0.55) SMN1; SMN2HTTLMNAATML3MBTL1
SCHEMBL10243339 0.71 LMNA (0.71) SMN1; SMN2HTTLMNAL3MBTL1MAPT
SCHEMBL358091 0.71 LMNA (0.61) SMN1; SMN2HTTLMNAL3MBTL1MAPT
SCHEMBL19936423 0.71 LMNA (0.61) SMN1; SMN2HTTLMNAL3MBTL1MAPT
SCHEMBL6044833 0.71 HTT (0.76) SMN1; SMN2HTTLMNAL3MBTL1MAPT
SCHEMBL13055383 0.71 LMNA (0.80) SMN1; SMN2HTTLMNAL3MBTL1MAPT

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-3116501-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR INCREASING CFTR ACTIVITY Proteostasis Therapeutics, Inc. (US) 2017-01-18 EP disclosed
WO-2015138909-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR INCREASING CFTR ACTIVITY PROTEOSTASIS THERAPEUTICS, INC. (US) 2015-09-17 WO disclosed