SCHEMBL17079462

SCHEMBL17079462

COC(C)c1nnc(CCNC(=O)OCc2ccccc2)o1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.55
MAPT P10636 2/20 0.49
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
LMNA P02545 1/20 0.47
TACR1 P25103 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
SLC1A3 P43003 1/20 0.42
SLC1A1 P43005 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
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 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
SCHEMBL17079464 0.88 ATM (0.56) ATMMAPTHTTSMN1; SMN2LMNA
SCHEMBL4043365 0.76 LMNA (0.50) ATMMAPTHTTSMN1; SMN2LMNA
SCHEMBL17079276 0.76 SMN1; SMN2 (0.51) ATMMAPTHTTSMN1; SMN2LMNA
SCHEMBL24333771 0.74 L3MBTL1 (0.53) ATMMAPTHTTSMN1; SMN2LMNA
SCHEMBL3715107 0.73 LMNA (0.49) ATMMAPTHTTSMN1; SMN2LMNA
SCHEMBL3711339 0.73 CCNE2 (0.57) ATMMAPTHTTSMN1; SMN2LMNA
SCHEMBL19578472 0.72 L3MBTL1 (0.49) ATMMAPTHTTSMN1; SMN2LMNA
Benzyl Phenethylcarbamate SCHEMBL4287199 0.72 LMNA (0.73) MAPTHTTSMN1; SMN2LMNAL3MBTL1
SCHEMBL8587051 0.72 LMNA (0.68) ATMMAPTHTTSMN1; SMN2LMNA
SCHEMBL48657 0.72 L3MBTL1 (0.53) ATMMAPTHTTSMN1; SMN2LMNA

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