SCHEMBL287774

SCHEMBL287774

CC(C)(C)c1ccc(S(=O)(=O)NN(CC(=O)c2cccs2)C(=O)C2CCCNC2)cc1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.36
ALDH1A1 P00352 6/20 0.35
MAPT P10636 2/20 0.35
NPY5R Q15761 4/20 0.35
HPGD P15428 3/20 0.34
PBK Q96KB5 2/20 0.33
HTT P42858 2/20 0.33
ERCC5 P28715 1/20 0.33
FEN1 P39748 1/20 0.33
ENPP3 O14638 3/20 0.33
ENPP1 P22413 3/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
MCOLN3 Q8TDD5 1/20 0.32
CACNA2D1 P54289 1/20 0.32
ALOX12 P18054 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
ENPP2 Q13822 1/20 0.32

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
SCHEMBL287365 0.89 NPY5R (0.41) ALDH1A1MAPTNPY5RHPGDPBK
SCHEMBL287828 0.85 ALDH1A1 (0.38) ALDH1A1HPGDPBKERCC5FEN1
SCHEMBL286982 0.76 KMT2A (0.41) ALDH1A1MAPTNPSR1
SCHEMBL286788 0.72 MAPT (0.35) ALDH1A1MAPTHPGDHTTSMN1; SMN2
SCHEMBL287775 0.72 GAA (0.36) USP30ALDH1A1MAPTNPY5RHPGD
SCHEMBL287259 0.71 KMT2A (0.40) ALDH1A1MAPTHPGDHTT
SCHEMBL284518 0.70 ALDH1A1 (0.34) ALDH1A1MAPTSMN1; SMN2NPSR1
SCHEMBL661997 0.67 ALDH1A1 (0.49) ALDH1A1NPY5RHTT
SCHEMBL4160439 0.66 TSHR (0.46) ALDH1A1MAPTHPGDPBKSMN1; SMN2
SCHEMBL287097 0.64 MMP1 (0.38) ALDH1A1MAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2427432-A2 NOVEL HETEROCYCLIC COMPOUNDS Torrent Pharmaceuticals Limited (IN) 2012-03-14 EP claimed
WO-2010128528-A2 NOVEL HETEROCYCLIC COMPOUNDS TORRENT PHARMACEUTICALS LIMITED (IN) 2010-11-11 WO claimed
EP-2427432-A2 NOVEL HETEROCYCLIC COMPOUNDS Torrent Pharmaceuticals Limited (IN) 2012-03-14 EP disclosed
WO-2010128528-A2 NOVEL HETEROCYCLIC COMPOUNDS TORRENT PHARMACEUTICALS LIMITED (IN) 2010-11-11 WO disclosed