SCHEMBL3655559

SCHEMBL3655559

Cc1ccc(-c2csc(N3CCN(S(=O)(=O)c4cccc(C(F)(F)F)c4)CC3)n2)cc1C.O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCN(c2nc(-c3ccc(Cl)c(Cl)c3)cs2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.51
MAPT P10636 4/20 0.49
ALDH1A1 P00352 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
USP2 O75604 2/20 0.49
HSD17B10 Q99714 2/20 0.49
RECQL P46063 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
AR P10275 2/20 0.48
HTT P42858 1/20 0.47
GBA1 P04062 2/20 0.45
HSD11B1 P28845 1/20 0.44
KDM4E B2RXH2 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MEN1 O00255 2/20 0.44
LMNA P02545 2/20 0.44
KMT2A Q03164 2/20 0.44
MAPK1 P28482 2/20 0.43
RAF1 P04049 1/20 0.43
BRAF P15056 1/20 0.43

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
SCHEMBL3010748 0.95 POLB (0.55) POLBMAPTALDH1A1SMN1; SMN2USP2
SCHEMBL3014880 0.94 ALDH1A1 (0.55) POLBMAPTALDH1A1SMN1; SMN2USP2
SCHEMBL3015353 0.89 ALDH1A1 (0.56) POLBMAPTALDH1A1SMN1; SMN2USP2
SCHEMBL3011390 0.87 ALDH1A1 (0.56) POLBMAPTALDH1A1SMN1; SMN2USP2
SCHEMBL3006412 0.87 ALDH1A1 (0.59) POLBMAPTALDH1A1SMN1; SMN2USP2
SCHEMBL3010804 0.86 ALDH1A1 (0.59) POLBMAPTALDH1A1SMN1; SMN2USP2
SCHEMBL3002525 0.86 SMN1; SMN2 (0.59) POLBMAPTALDH1A1SMN1; SMN2USP2
SCHEMBL3009558 0.85 MEN1 (0.49) POLBMAPTALDH1A1SMN1; SMN2USP2
SCHEMBL3647220 0.85 MAPT (0.50) POLBMAPTALDH1A1SMN1; SMN2USP2
SCHEMBL3016313 0.85 MAPT (0.57) POLBMAPTALDH1A1SMN1; SMN2USP2

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