SCHEMBL3654465

SCHEMBL3654465

O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCN(c2nc(-c3ccc(Cl)cc3)cs2)CC1.O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCN(c2nc(-c3cccc(Br)c3)cs2)CC1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
KDM1A O60341 2/20 0.51
AR P10275 1/20 0.51
MAPT P10636 3/20 0.49
USP2 O75604 1/20 0.49
RECQL P46063 1/20 0.49
HSD17B10 Q99714 1/20 0.49
HTT P42858 1/20 0.47
GBA1 P04062 3/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
LMNA P02545 2/20 0.46
POLB P06746 1/20 0.45
MAPK1 P28482 2/20 0.45
HSD11B1 P28845 1/20 0.44
KDM4E B2RXH2 1/20 0.44
MAOA P21397 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
SCHEMBL3011261 0.94 AR (0.57) ALDH1A1SMN1; SMN2L3MBTL1ARMAPT
SCHEMBL3002525 0.93 SMN1; SMN2 (0.59) ALDH1A1SMN1; SMN2L3MBTL1KDM1AAR
SCHEMBL3016680 0.89 SMN1; SMN2 (0.59) ALDH1A1SMN1; SMN2L3MBTL1MAPTUSP2
SCHEMBL3011390 0.87 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2L3MBTL1KDM1AAR
SCHEMBL3014880 0.87 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2L3MBTL1KDM1AAR
SCHEMBL3004669 0.87 MAPT (0.60) ALDH1A1SMN1; SMN2L3MBTL1KDM1AMAPT
SCHEMBL3018379 0.87 HTT (0.62) ALDH1A1SMN1; SMN2L3MBTL1ARMAPT
SCHEMBL3010287 0.86 HTT (0.53) ALDH1A1SMN1; SMN2L3MBTL1KDM1AAR
SCHEMBL3015607 0.86 KDM1A (0.57) ALDH1A1SMN1; SMN2L3MBTL1KDM1AMAPT
SCHEMBL3015353 0.85 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2L3MBTL1KDM1AAR

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