SCHEMBL3650296

SCHEMBL3650296

COc1ccc(Br)cc1S(=O)(=O)N1CCN(c2nc(Cc3ccc(C)cc3)cs2)CC1.COc1ccc(Cc2csc(N3CCN(S(=O)(=O)c4cc(Br)ccc4OC)CC3)n2)cc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.52
GAA P10253 3/20 0.48
ALDH1A1 P00352 6/20 0.46
MAPT P10636 1/20 0.46
RECQL P46063 1/20 0.46
KMT2A Q03164 3/20 0.45
USP2 O75604 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
KDM4E B2RXH2 2/20 0.42
ALOX15 P16050 1/20 0.42
PKM P14618 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
TSHR P16473 2/20 0.41
STAT3 P40763 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
SCHEMBL3013091 0.97 GAA (0.51) MAPK1GAAALDH1A1MAPTRECQL
SCHEMBL3011626 0.97 GAA (0.51) MAPK1GAAALDH1A1MAPTRECQL
SCHEMBL3011303 0.92 ALDH1A1 (0.55) MAPK1GAAALDH1A1MAPTRECQL
SCHEMBL3649255 0.90 GAA (0.48) MAPK1GAAALDH1A1MAPTRECQL
SCHEMBL3652435 0.90 MAPK1 (0.52) MAPK1GAAALDH1A1MAPTRECQL
SCHEMBL3001973 0.90 GAA (0.51) MAPK1GAAALDH1A1MAPTRECQL
SCHEMBL3010047 0.90 GAA (0.51) MAPK1GAAALDH1A1MAPTRECQL
SCHEMBL2998195 0.90 GAA (0.51) MAPK1GAAALDH1A1MAPTRECQL
SCHEMBL3002250 0.90 ALDH1A1 (0.55) MAPK1GAAALDH1A1MAPTRECQL
SCHEMBL3015767 0.89 GAA (0.50) GAAALDH1A1MAPTRECQLKMT2A

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-2188272-A2 PHENYL- AND BENZYLTHIAZOLYLPIPERAZINE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV Remynd (BE) 2010-05-26 EP disclosed
WO-2009019295-A2 PHENYL- AND BENZYLTHIAZOLYLPIPERAZINE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV REMYND (BE) 2009-02-12 WO disclosed