SCHEMBL7428231

SCHEMBL7428231

COC(NC(=O)COc1ccc(Cl)cc1Cl)C(N)=O

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.68
LMNA P02545 1/20 0.65
RECQL P46063 1/20 0.59
TDP1 Q9NUW8 2/20 0.54
TSHR P16473 2/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
MAPT P10636 4/20 0.51
HPGD P15428 3/20 0.51
TP53 P04637 2/20 0.51
RAB9A P51151 2/20 0.51
MAPK1 P28482 2/20 0.51
NLRP1 Q9C000 1/20 0.51
NPC1 O15118 1/20 0.51
PKM P14618 1/20 0.51
HTT P42858 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50

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
SCHEMBL7430340 0.83 SMN1; SMN2 (0.45) SMN1; SMN2LMNARECQLTSHRMAPT
SCHEMBL24740256 0.81 SMN1; SMN2 (1.00) SMN1; SMN2LMNARECQLTDP1TSHR
SCHEMBL27374817 0.80 SMN1; SMN2 (0.68) SMN1; SMN2LMNARECQLTDP1TSHR
SCHEMBL7431741 0.80 SMN1; SMN2 (0.67) SMN1; SMN2LMNARECQLTDP1TSHR
SCHEMBL7436139 0.79 SMN1; SMN2 (0.63) SMN1; SMN2LMNARECQLTDP1TSHR
SCHEMBL7427428 0.79 SMN1; SMN2 (0.62) SMN1; SMN2LMNARECQLTDP1TSHR
SCHEMBL277495 0.78 TDP1 (0.72) SMN1; SMN2LMNARECQLTDP1TSHR
SCHEMBL10859070 0.78 SMN1; SMN2 (0.81) SMN1; SMN2LMNARECQLTDP1TSHR
SCHEMBL7427432 0.77 SMN1; SMN2 (0.64) SMN1; SMN2LMNARECQLTDP1TSHR
SCHEMBL4211676 0.77 SMN1; SMN2 (0.67) SMN1; SMN2LMNARECQLTDP1TSHR

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-1155010-A1 ACETAMIDO ACETONITRILE DERIVATIVES AS INHIBITORS OF CATHEPSIN L AND/OR CATHEPSIN S AstraZeneca AB (SE) 2001-11-21 EP disclosed
WO-2000049007-A1 ACETAMIDO ACETONITRILE DERIVATIVES AS INHIBITORS OF CATHEPSIN L AND/OR CATHEPSIN S ASTRAZENECA AB (SE) 2000-08-24 WO disclosed