SCHEMBL3649873

SCHEMBL3649873

CCCc1ccc(-c2csc(N3CCN(S(=O)(=O)c4cc(Br)ccc4OC)CC3)n2)cc1.COc1ccc(Br)cc1S(=O)(=O)N1CCN(c2nc(-c3c(C)cccc3C)cs2)CC1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
LMNA P02545 2/20 0.44
MAPK1 P28482 2/20 0.44
MAPT P10636 7/20 0.44
SMN1; SMN2 Q16637 6/20 0.44
ALDH1A1 P00352 4/20 0.44
RECQL P46063 3/20 0.43
USP2 O75604 1/20 0.43
HSD17B10 Q99714 1/20 0.43
GAA P10253 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.41
POLB P06746 1/20 0.41
RAB9A P51151 4/20 0.40
NPC1 O15118 3/20 0.40
KDM4E B2RXH2 1/20 0.39
NTSR1 P30989 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ALOX15 P16050 1/20 0.38

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
SCHEMBL3014597 0.93 GAA (0.49) MEN1KMT2ALMNAMAPK1MAPT
SCHEMBL3009747 0.90 GAA (0.53) MEN1KMT2ALMNAMAPK1MAPT
SCHEMBL3009150 0.86 GAA (0.51) MEN1KMT2ALMNAMAPK1MAPT
SCHEMBL3649348 0.85 GAA (0.48) MEN1KMT2ALMNAMAPK1MAPT
SCHEMBL3017612 0.84 ALDH1A1 (0.52) MEN1KMT2ALMNAMAPK1MAPT
SCHEMBL3011013 0.84 GAA (0.54) MEN1KMT2ALMNAMAPK1MAPT
SCHEMBL3014974 0.83 CYP3A4 (0.52) MEN1KMT2ALMNAMAPK1MAPT
SCHEMBL3016505 0.83 GAA (0.53) KMT2AMAPK1MAPTSMN1; SMN2ALDH1A1
SCHEMBL3020045 0.83 LMNA (0.59) MEN1KMT2ALMNAMAPK1MAPT
SCHEMBL3003103 0.82 GAA (0.52) MEN1KMT2ALMNAMAPK1MAPT

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