SCHEMBL3653002

SCHEMBL3653002

COc1cc(-c2csc(N3CCN(S(=O)(=O)c4ccc(F)cc4Cl)CC3)n2)cc(OC)c1OC.Cc1cc(C)c(-c2csc(N3CCN(S(=O)(=O)c4ccc(F)cc4Cl)CC3)n2)c(C)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.49
RECQL P46063 2/20 0.49
USP2 O75604 1/20 0.49
HSD17B10 Q99714 1/20 0.49
MAPK1 P28482 4/20 0.47
ALDH1A1 P00352 3/20 0.47
GAA P10253 1/20 0.47
SMN1; SMN2 Q16637 5/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
LMNA P02545 6/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
AR P10275 1/20 0.41
TSHR P16473 2/20 0.40
POLB P06746 1/20 0.39
G6PD P11413 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 1/20 0.39
TDP1 Q9NUW8 2/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL3013056 0.93 MAPT (0.55) MAPTRECQLUSP2HSD17B10MAPK1
SCHEMBL3014992 0.89 SMN1; SMN2 (0.52) MAPTRECQLUSP2HSD17B10MAPK1
SCHEMBL3652234 0.86 ALDH1A1 (0.49) MAPTRECQLUSP2HSD17B10MAPK1
SCHEMBL3009024 0.86 MAPT (0.55) MAPTRECQLUSP2HSD17B10MAPK1
SCHEMBL3653209 0.86 MAPT (0.51) MAPTRECQLUSP2HSD17B10MAPK1
SCHEMBL3651369 0.85 MAPK1 (0.55) MAPTRECQLUSP2HSD17B10MAPK1
SCHEMBL3017214 0.85 MAPT (0.56) MAPTRECQLUSP2HSD17B10MAPK1
SCHEMBL3018034 0.85 SMN1; SMN2 (0.58) MAPTRECQLUSP2HSD17B10MAPK1
SCHEMBL3651547 0.85 ALDH1A1 (0.50) MAPTRECQLUSP2HSD17B10MAPK1
SCHEMBL3009047 0.84 MAPT (0.57) MAPTRECQLUSP2HSD17B10MAPK1

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