SCHEMBL4749720

SCHEMBL4749720

CCCCNC(=O)c1cc(C(=O)OC)cc(N(C)S(C)(=O)=O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.50
PKM P14618 1/20 0.50
SMN1; SMN2 Q16637 4/20 0.48
LMNA P02545 4/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
KDM4E B2RXH2 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
ALDH1A1 P00352 1/20 0.45
TSHR P16473 1/20 0.45
HSD17B10 Q99714 1/20 0.45
CTSD P07339 1/20 0.44
BACE1 P56817 1/20 0.44
BACE2 Q9Y5Z0 1/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
POLB P06746 1/20 0.42
GALR3 O60755 1/20 0.41
MAPT P10636 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL4750119 0.88 SMN1; SMN2 (0.50) TP53PKMSMN1; SMN2LMNAL3MBTL1
SCHEMBL475760 0.83 KDM4E (0.56) TP53SMN1; SMN2LMNAL3MBTL1KDM4E
SCHEMBL3595760 0.82 L3MBTL1 (0.51) TP53PKMSMN1; SMN2LMNAL3MBTL1
SCHEMBL4694649 0.81 MCHR1 (0.55) TP53SMN1; SMN2LMNAALDH1A1BACE1
SCHEMBL4749719 0.78 SMN1; SMN2 (0.48) SMN1; SMN2LMNAKDM4EMEN1KMT2A
SCHEMBL3855873 0.78 KDM4E (0.44) TP53SMN1; SMN2LMNAL3MBTL1KDM4E
SCHEMBL7868931 0.77 KDM4E (0.51) TP53SMN1; SMN2LMNAL3MBTL1KDM4E
SCHEMBL165562 0.77 KDM4E (0.51) TP53SMN1; SMN2LMNAL3MBTL1KDM4E
SCHEMBL13229602 0.77 LMNA (0.50) SMN1; SMN2LMNAL3MBTL1KDM4EMEN1
SCHEMBL3446852 0.76 L3MBTL1 (0.50) TP53SMN1; SMN2LMNAL3MBTL1KDM4E

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-2008119772-A1 AMIDE DERIVATIVES AS INHIBITORS OF ASPARTYL PROTEASES MEDIVIR AB (SE) 2008-10-09 WO disclosed