SCHEMBL3653282

SCHEMBL3653282

O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CCN(c2nc(-c3cc(F)cc(Cl)c3)cs2)CC1.O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CCN(c2nc(-c3ccc(F)c(Cl)c3)cs2)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.57
ALDH1A1 P00352 3/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
MAPT P10636 4/20 0.54
USP2 O75604 1/20 0.54
RECQL P46063 1/20 0.54
HSD17B10 Q99714 1/20 0.54
HDAC3 O15379 2/20 0.46
HDAC4 P56524 2/20 0.46
HDAC1 Q13547 2/20 0.46
HDAC7 Q8WUI4 2/20 0.46
HDAC2 Q92769 2/20 0.46
HDAC10 Q969S8 2/20 0.46
HDAC11 Q96DB2 2/20 0.46
HDAC8 Q9BY41 2/20 0.46
HDAC6 Q9UBN7 2/20 0.46
HDAC9 Q9UKV0 2/20 0.46
HDAC5 Q9UQL6 2/20 0.46
MAPK1 P28482 3/20 0.44
POLB P06746 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
SCHEMBL3006213 0.95 ALDH1A1 (0.60) SMN1; SMN2ALDH1A1L3MBTL1MAPTUSP2
SCHEMBL3010340 0.94 SMN1; SMN2 (0.61) SMN1; SMN2ALDH1A1L3MBTL1MAPTUSP2
SCHEMBL3006498 0.90 SMN1; SMN2 (0.59) SMN1; SMN2ALDH1A1L3MBTL1MAPTUSP2
SCHEMBL3014179 0.89 ALDH1A1 (0.66) SMN1; SMN2ALDH1A1L3MBTL1MAPTUSP2
SCHEMBL3008637 0.87 ALDH1A1 (0.61) SMN1; SMN2ALDH1A1L3MBTL1MAPTUSP2
SCHEMBL3017023 0.87 ALDH1A1 (0.60) SMN1; SMN2ALDH1A1L3MBTL1MAPTUSP2
SCHEMBL3014606 0.87 ALDH1A1 (0.63) SMN1; SMN2ALDH1A1L3MBTL1MAPTUSP2
SCHEMBL3008586 0.86 SMN1; SMN2 (0.64) SMN1; SMN2ALDH1A1L3MBTL1MAPTUSP2
SCHEMBL3020270 0.85 SMN1; SMN2 (0.66) SMN1; SMN2ALDH1A1L3MBTL1MAPTUSP2
SCHEMBL3017692 0.85 MAPT (0.68) SMN1; SMN2ALDH1A1L3MBTL1MAPTUSP2

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