SCHEMBL11359082

SCHEMBL11359082

O=C(S)CCc1cc(OS(=O)(=O)c2ccccc2)no1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.36
NPC1 O15118 6/20 0.36
RAB9A P51151 6/20 0.36
LMNA P02545 2/20 0.36
MAOB P27338 1/20 0.35
MAPT P10636 3/20 0.34
METAP2 P50579 1/20 0.34
METAP1 P53582 1/20 0.34
ALDH1A1 P00352 2/20 0.34
MMP2 P08253 1/20 0.34
MMP8 P22894 1/20 0.34
MMP12 P39900 1/20 0.34
HDAC6 Q9UBN7 2/20 0.33
KMT2A Q03164 2/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33
MEN1 O00255 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL11359078 0.86 SMN1; SMN2 (0.37) SMN1; SMN2NPC1RAB9ALMNAMAOB
SCHEMBL11360819 0.84 SMN1; SMN2 (0.36) SMN1; SMN2NPC1RAB9ALMNAMAOB
SCHEMBL11373381 0.81 SMN1; SMN2 (0.40) SMN1; SMN2NPC1RAB9ALMNAMAOB
SCHEMBL27618647 0.81 SMN1; SMN2 (0.40) SMN1; SMN2NPC1RAB9ALMNAMAOB
SCHEMBL11364194 0.79 NPC1 (0.38) SMN1; SMN2NPC1RAB9ALMNAMAOB
SCHEMBL1714565 0.78 SMN1; SMN2 (0.41) SMN1; SMN2NPC1RAB9ALMNAMAOB
SCHEMBL14367311 0.78 NPC1 (0.41) SMN1; SMN2NPC1RAB9ALMNAMAOB
SCHEMBL11376448 0.78 SMN1; SMN2 (0.32) SMN1; SMN2NPC1RAB9ALMNAMAOB
SCHEMBL11359074 0.74 ADAMTS4 (0.36) SMN1; SMN2NPC1RAB9AMAOBMAPT
SCHEMBL11360815 0.74 NPC1 (0.34) SMN1; SMN2NPC1RAB9ALMNAMAOB

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
US-4247548-A 7α-Methoxycephalosporin derivatives and their pharmaceutical compositions having antibacterial activity SANKYO COMPANY LIMITED (JP) 1981-01-27 US disclosed