SCHEMBL9849048

SCHEMBL9849048

O=S(=O)(CCOCCCl)c1nc2cc(Cl)ccc2s1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.42
HDAC6 Q9UBN7 1/20 0.40
SMN1; SMN2 Q16637 4/20 0.39
NPSR1 Q6W5P4 1/20 0.39
IDO1 P14902 1/20 0.39
HTT P42858 5/20 0.38
ALDH1A1 P00352 4/20 0.38
LMNA P02545 4/20 0.38
MAPT P10636 4/20 0.38
KMT2A Q03164 4/20 0.38
PPARA Q07869 6/20 0.38
CA2 P00918 2/20 0.37
KAT8 Q9H7Z6 1/20 0.36
MEN1 O00255 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ALOX5 P09917 2/20 0.35
TP53 P04637 1/20 0.34

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
SCHEMBL9439505 0.88 SMN1; SMN2 (0.42) LOXL2HDAC6SMN1; SMN2NPSR1IDO1
SCHEMBL3133484 0.73 SMN1; SMN2 (0.50) LOXL2HDAC6SMN1; SMN2NPSR1IDO1
SCHEMBL1748164 0.72 SMN1; SMN2 (0.53) LOXL2HDAC6SMN1; SMN2NPSR1IDO1
SCHEMBL9744120 0.72 ALOX5 (0.55) SMN1; SMN2NPSR1ALDH1A1MAPTKMT2A
SCHEMBL9744062 0.71 F10 (0.46) SMN1; SMN2ALDH1A1LMNAMAPTKMT2A
SCHEMBL9744944 0.70 LOXL2 (0.42) LOXL2HDAC6SMN1; SMN2NPSR1IDO1
SCHEMBL9748037 0.70 TMEM97 (0.38) LOXL2HDAC6SMN1; SMN2NPSR1IDO1
SCHEMBL9439692 0.69 ALDH1A1 (0.56) SMN1; SMN2HTTALDH1A1LMNAMAPT
SCHEMBL32679815 0.67 NPC1 (0.48) SMN1; SMN2HTTALDH1A1LMNAMAPT
SCHEMBL25338846 0.67 ALDH1A1 (0.54) SMN1; SMN2HTTALDH1A1LMNAMAPT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0452076-A1 Thiazole and imidazole derivatives and antiulcer composition containing same MEIJI SEIKA KABUSHIKI KAISHA (JP) 1991-10-16 EP disclosed