SCHEMBL3652607

SCHEMBL3652607

O=S(=O)(c1ccc(Br)cc1Cl)N1CCN(c2nc(-c3cc(F)cc(F)c3)cs2)CC1.O=S(=O)(c1ccc(Br)cc1Cl)N1CCN(c2nc(-c3ccc(F)c(F)c3)cs2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.52
ALDH1A1 P00352 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
MAPT P10636 4/20 0.50
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
LMNA P02545 4/20 0.50
MAPK1 P28482 5/20 0.48
USP2 O75604 1/20 0.45
RECQL P46063 1/20 0.45
HSD17B10 Q99714 1/20 0.45
RAB9A P51151 5/20 0.43
NPC1 O15118 4/20 0.42
PTPN1 P18031 1/20 0.41
PTPN6 P29350 1/20 0.41
CDC25A P30304 1/20 0.41
AR P10275 3/20 0.40
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL3006068 0.95 SMN1; SMN2 (0.53) SMN1; SMN2ALDH1A1L3MBTL1MAPTMEN1
SCHEMBL3017122 0.94 SMN1; SMN2 (0.55) SMN1; SMN2ALDH1A1L3MBTL1MAPTMEN1
SCHEMBL3646189 0.92 SMN1; SMN2 (0.49) SMN1; SMN2ALDH1A1L3MBTL1MAPTMEN1
SCHEMBL3009697 0.91 SMN1; SMN2 (0.53) SMN1; SMN2ALDH1A1L3MBTL1MAPTMEN1
SCHEMBL3006722 0.90 SMN1; SMN2 (0.53) SMN1; SMN2ALDH1A1L3MBTL1MAPTMEN1
SCHEMBL3016435 0.90 SMN1; SMN2 (0.53) SMN1; SMN2ALDH1A1L3MBTL1MAPTMEN1
SCHEMBL3007066 0.88 SMN1; SMN2 (0.61) SMN1; SMN2ALDH1A1L3MBTL1MAPTMEN1
SCHEMBL3019103 0.87 SMN1; SMN2 (0.56) SMN1; SMN2ALDH1A1L3MBTL1MAPTMEN1
SCHEMBL3020794 0.86 SMN1; SMN2 (0.49) SMN1; SMN2ALDH1A1L3MBTL1MAPTMEN1
SCHEMBL3012811 0.86 SMN1; SMN2 (0.57) SMN1; SMN2ALDH1A1L3MBTL1MAPTMEN1

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