SCHEMBL3928031

SCHEMBL3928031

CC(N)CC(=O)Nc1ccc(-c2nc(C(=O)O)cs2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.54
SMN1; SMN2 Q16637 3/20 0.48
MAPT P10636 3/20 0.48
KDM4E B2RXH2 1/20 0.48
HTT P42858 1/20 0.48
TDP1 Q9NUW8 2/20 0.48
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
GFER P55789 1/20 0.47
NPY1R P25929 1/20 0.47
NPY2R P49146 1/20 0.47
ATM Q13315 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ADRB2 P07550 1/20 0.46
ADRB1 P08588 1/20 0.46
ADRB3 P13945 1/20 0.46
PTPN1 P18031 2/20 0.46

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
SCHEMBL3931641 0.79 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2MAPTTDP1MEN1
SCHEMBL10068461 0.76 ALDH1A1 (0.64) ALDH1A1MAPTKDM4ETDP1NPC1
SCHEMBL12869799 0.75 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2MAPTTDP1MEN1
SCHEMBL3931636 0.74 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2MAPTKDM4ETDP1
SCHEMBL9613341 0.74 ALDH1A1 (0.69) ALDH1A1KDM4ENPC1RAB9AADRB2
SCHEMBL4710134 0.73 TDP1 (0.54) ALDH1A1SMN1; SMN2MAPTKDM4ETDP1
SCHEMBL2025129 0.73 ALDH1A1 (0.57) ALDH1A1MAPTTDP1MEN1KMT2A
SCHEMBL10037333 0.73 ALDH1A1 (0.64) ALDH1A1MAPTKDM4ETDP1NPC1
SCHEMBL14301138 0.72 ALDH1A1 (0.71) ALDH1A1KDM4ENPC1RAB9APTPN1
SCHEMBL28747178 0.72 ALDH1A1 (0.67) ALDH1A1KDM4ETDP1NPC1RAB9A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2044083-A1 ANTIVIRAL AGENTS GENELABS TECHNOLOGIES, INC. (US) 2009-04-08 EP disclosed
WO-2008008907-A2 ANTIVIRAL AGENTS GENELABS TECHNOLOGIES, INC. (US) 2008-01-17 WO disclosed
WO-2008008912-A1 ANTIVIRAL AGENTS GENELABS TECHNOLOGIES, INC. (US) 2008-01-17 WO disclosed