SCHEMBL9744944

SCHEMBL9744944

[O-][S+](CCOCCCl)c1nc2cc(Cl)ccc2s1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
IDO1 P14902 1/20 0.39
HDAC6 Q9UBN7 1/20 0.37
MGAM O43451 1/20 0.36
GAA P10253 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
HTT P42858 1/20 0.35
PPARA Q07869 5/20 0.35
ALOX5 P09917 3/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
ATP4A P20648 1/20 0.32
ATP4B P51164 1/20 0.32
KAT8 Q9H7Z6 1/20 0.32
TMEM97 Q5BJF2 1/20 0.32
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32

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
SCHEMBL9439501 0.89 LOXL2 (0.41) LOXL2SMN1; SMN2NPSR1IDO1HDAC6
SCHEMBL6475090 0.88 SMN1; SMN2 (0.42) LOXL2SMN1; SMN2NPSR1IDO1HDAC6
SCHEMBL9439945 0.83 HDAC6 (0.40) LOXL2SMN1; SMN2NPSR1IDO1HDAC6
SCHEMBL9439614 0.81 LOXL2 (0.41) LOXL2SMN1; SMN2NPSR1IDO1HDAC6
SCHEMBL9439557 0.81 SMN1; SMN2 (0.40) LOXL2SMN1; SMN2NPSR1IDO1HDAC6
SCHEMBL9439734 0.80 LOXL2 (0.47) LOXL2SMN1; SMN2NPSR1IDO1HDAC6
SCHEMBL9439615 0.80 SMN1; SMN2 (0.42) LOXL2SMN1; SMN2NPSR1IDO1HDAC6
SCHEMBL9743401 0.78 PTPN1 (0.42) SMN1; SMN2GAAHTTPPARANPC1
SCHEMBL8127971 0.75 ALOX5 (0.51) LOXL2IDO1HDAC6PPARAALOX5
SCHEMBL9439576 0.74 NPC1 (0.43) SMN1; SMN2HDAC6GAAPPARAALOX5

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
US-5171746-A THIAZOLE AND IMIDAZOLE DERIVATIVES AND ANTIULCER COMPOSITION CONTAINING SAME MEIJI SEIKA KABUSHIKI KAISHA (JP) 1992-12-15 US disclosed
EP-0452076-A1 Thiazole and imidazole derivatives and antiulcer composition containing same MEIJI SEIKA KABUSHIKI KAISHA (JP) 1991-10-16 EP disclosed