SCHEMBL3650654

SCHEMBL3650654

COc1ccccc1-c1csc(N2CCN(S(=O)(=O)c3ccc(Br)cc3Cl)CC2)n1.Cc1ccccc1-c1csc(N2CCN(S(=O)(=O)c3ccc(Br)cc3Cl)CC2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.44
MAPT P10636 5/20 0.44
RECQL P46063 3/20 0.44
HSD17B10 Q99714 2/20 0.44
USP2 O75604 1/20 0.44
LMNA P02545 4/20 0.42
ALDH1A1 P00352 4/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
AR P10275 1/20 0.41
MAPK1 P28482 2/20 0.41
GAA P10253 2/20 0.40
KDM1A O60341 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
REV1 Q9UBZ9 1/20 0.39
POLB P06746 1/20 0.38
TSHR P16473 1/20 0.37
KDM4E B2RXH2 1/20 0.37
NTSR1 P30989 1/20 0.37

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
SCHEMBL3006453 0.96 MAPT (0.47) TP53MAPTRECQLHSD17B10USP2
SCHEMBL3018270 0.93 MEN1 (0.46) TP53MAPTRECQLHSD17B10USP2
SCHEMBL3016144 0.89 GAA (0.52) MAPTRECQLHSD17B10USP2LMNA
SCHEMBL3009903 0.87 GAA (0.54) MAPTRECQLHSD17B10USP2LMNA
SCHEMBL3010342 0.87 MAPT (0.48) TP53MAPTRECQLHSD17B10USP2
SCHEMBL3019066 0.86 AR (0.54) TP53MAPTRECQLHSD17B10USP2
SCHEMBL3016689 0.86 TP53 (0.48) TP53MAPTRECQLHSD17B10USP2
SCHEMBL3014561 0.86 MEN1 (0.44) TP53MAPTRECQLHSD17B10USP2
SCHEMBL3019394 0.85 REV1 (0.51) MAPTRECQLHSD17B10USP2LMNA
SCHEMBL3017824 0.85 MAPT (0.47) MAPTRECQLHSD17B10USP2LMNA

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