SCHEMBL3650400

SCHEMBL3650400

Cc1cc(C)c(C)c(S(=O)(=O)N2CCN(c3nc(-c4c(C)cccc4C)cs3)CC2)c1C.Cc1cccc(-c2csc(N3CCN(S(=O)(=O)c4c(C)c(C)cc(C)c4C)CC3)n2)c1C

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
LMNA P02545 3/20 0.44
MAPK1 P28482 2/20 0.44
MAPT P10636 4/20 0.43
ALDH1A1 P00352 3/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
AR P10275 3/20 0.43
GAA P10253 1/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
USP2 O75604 1/20 0.43
RECQL P46063 1/20 0.43
HSD17B10 Q99714 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
TP53 P04637 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
SCHEMBL3017900 0.96 MEN1 (0.47) MEN1KMT2ALMNAMAPK1MAPT
SCHEMBL3012118 0.94 MEN1 (0.49) MEN1KMT2ALMNAMAPK1MAPT
SCHEMBL3021719 0.89 MEN1 (0.51) MEN1KMT2ALMNAMAPK1MAPT
SCHEMBL3011374 0.87 MEN1 (0.47) MEN1KMT2ALMNAMAPK1MAPT
SCHEMBL3015871 0.85 AR (0.50) MEN1KMT2ALMNAMAPK1MAPT
SCHEMBL3006465 0.85 AR (0.58) MEN1KMT2ALMNAMAPK1MAPT
SCHEMBL3017929 0.84 KMT2A (0.48) MEN1KMT2ALMNAMAPK1MAPT
SCHEMBL3652514 0.84 MAPK1 (0.60) MEN1KMT2ALMNAMAPK1MAPT
SCHEMBL3009153 0.83 MEN1 (0.49) MEN1KMT2ALMNAMAPK1MAPT
SCHEMBL3015735 0.83 MAPT (0.48) 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