SCHEMBL3650605

SCHEMBL3650605

COc1ccccc1-c1csc(N2CCN(S(=O)(=O)c3ccc(C(C)(C)C)cc3)CC2)n1.Cc1ccccc1-c1csc(N2CCN(S(=O)(=O)c3ccc(C(C)(C)C)cc3)CC2)n1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 9/20 0.52
USP2 O75604 1/20 0.51
MAPT P10636 1/20 0.51
RECQL P46063 1/20 0.51
HSD17B10 Q99714 1/20 0.51
ALDH1A1 P00352 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
POLB P06746 2/20 0.43
GBA1 P04062 2/20 0.43
LMNA P02545 1/20 0.42
MAPK1 P28482 1/20 0.42
TP53 P04637 1/20 0.42
GAA P10253 1/20 0.42
GFER P55789 1/20 0.42

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
SCHEMBL3011478 0.95 MAPT (0.55) HSD11B1USP2MAPTRECQLHSD17B10
SCHEMBL3023448 0.93 HSD11B1 (0.59) HSD11B1USP2MAPTRECQLHSD17B10
SCHEMBL3002316 0.87 MAPT (0.58) HSD11B1USP2MAPTRECQLHSD17B10
SCHEMBL3007848 0.85 HSD11B1 (0.54) HSD11B1USP2MAPTRECQLHSD17B10
SCHEMBL3003753 0.85 MAPT (0.63) HSD11B1USP2MAPTRECQLHSD17B10
SCHEMBL3016396 0.85 MAPT (0.68) USP2MAPTRECQLHSD17B10ALDH1A1
SCHEMBL3012414 0.85 MAPT (0.60) HSD11B1USP2MAPTRECQLHSD17B10
SCHEMBL3002381 0.84 TSHR (0.60) HSD11B1USP2MAPTRECQLHSD17B10
SCHEMBL3005656 0.84 MAPT (0.57) USP2MAPTRECQLHSD17B10ALDH1A1
SCHEMBL3010513 0.84 USP2 (0.57) USP2MAPTRECQLHSD17B10ALDH1A1

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