SCHEMBL11199747

SCHEMBL11199747

O=S1(=O)CCC(NCNC2CCS(=O)(=O)C2)C1

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.52
ALDH1A1 P00352 3/20 0.50
MAPT P10636 1/20 0.50
GAA P10253 1/20 0.46
LMNA P02545 2/20 0.43
HTT P42858 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MITF O75030 1/20 0.41
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL11200026 0.86 SMN1; SMN2 (0.52) SMN1; SMN2ALDH1A1MAPTGAALMNA
SCHEMBL12409575 0.82 ALDH1A1 (0.52) SMN1; SMN2ALDH1A1MAPTGAALMNA
SCHEMBL4802583 0.82 SMN1; SMN2 (0.48) SMN1; SMN2ALDH1A1MAPTGAALMNA
SCHEMBL11817502 0.82 SMN1; SMN2 (0.48) SMN1; SMN2ALDH1A1MAPTGAALMNA
SCHEMBL11812131 0.82 SMN1; SMN2 (0.48) SMN1; SMN2ALDH1A1MAPTGAALMNA
SCHEMBL469045 0.82 ALDH1A1 (0.52) SMN1; SMN2ALDH1A1MAPTGAALMNA
Hydrochloric Acid SCHEMBL11200108 0.80 SMN1; SMN2 (0.52) SMN1; SMN2ALDH1A1MAPTGAALMNA
SCHEMBL11816011 0.80 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1MAPTGAALMNA
SCHEMBL11813697 0.80 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1MAPTGAALMNA
SCHEMBL23665146 0.79 HTT (0.49) SMN1; SMN2ALDH1A1MAPTGAALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4374040-A ANTICORROSION, ANTISCALE, ANTIDERPOSIT BUCKMAN LABORATORIES, INC. (US) 1983-02-15 US disclosed
US-4243524-A ANTISCALING, ANTISLUDGING BUCKMAN LABORATORIES, INC. (US) 1981-01-06 US disclosed
US-4181806-A ANTISLUDGING AGENTS, ANTISCALING AGENTS BUCKMAN LABORATORIES, INC. (US) 1980-01-01 US disclosed