SCHEMBL3650223

SCHEMBL3650223

Cc1cc(C)c(C)c(S(=O)(=O)N2CCN(c3nc(Cc4cc(F)cc(Cl)c4)cs3)CC2)c1C.Cc1cc(C)c(C)c(S(=O)(=O)N2CCN(c3nc(Cc4ccc(F)c(Cl)c4)cs3)CC2)c1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.37
KMT2A Q03164 5/20 0.37
LMNA P02545 5/20 0.37
ALDH1A1 P00352 4/20 0.37
MAPT P10636 4/20 0.37
L3MBTL1 Q9Y468 3/20 0.37
GAA P10253 3/20 0.37
HTT P42858 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
KDM4E B2RXH2 1/20 0.35
MAPK1 P28482 2/20 0.35
USP2 O75604 1/20 0.34
RECQL P46063 1/20 0.34
HSD17B10 Q99714 1/20 0.34
LPAR1 Q92633 1/20 0.34
LPAR2 Q9HBW0 1/20 0.34
SOS1 Q07889 1/20 0.33
PKM P14618 1/20 0.33

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
SCHEMBL3002094 0.94 MEN1 (0.41) MEN1KMT2ALMNAALDH1A1MAPT
SCHEMBL3009422 0.94 KMT2A (0.40) MEN1KMT2ALMNAALDH1A1MAPT
SCHEMBL3014463 0.88 KMT2A (0.43) MEN1KMT2ALMNAALDH1A1MAPT
SCHEMBL3014339 0.88 KMT2A (0.43) MEN1KMT2ALMNAALDH1A1MAPT
SCHEMBL3019173 0.87 PROKR1 (0.42) MEN1KMT2ALMNAALDH1A1MAPT
SCHEMBL3017020 0.87 MEN1 (0.43) MEN1KMT2ALMNAALDH1A1MAPT
SCHEMBL3651999 0.86 LMNA (0.40) KMT2ALMNAALDH1A1MAPTL3MBTL1
SCHEMBL3009068 0.86 LMNA (0.43) MEN1KMT2ALMNAALDH1A1MAPT
SCHEMBL3017975 0.85 KDM4E (0.41) MEN1KMT2ALMNAALDH1A1MAPT
SCHEMBL3006920 0.85 LMNA (0.42) MEN1KMT2ALMNAALDH1A1MAPT

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