SCHEMBL11813697

SCHEMBL11813697

O=S1(=O)CCC(NCCCCCCCCCCNC2CCS(=O)(=O)C2)C1

nearest known ligand 0.76

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.47
ALDH1A1 P00352 2/20 0.46
MAPT P10636 1/20 0.46
HTT P42858 3/20 0.43
GAA P10253 2/20 0.43
MAPK1 P28482 1/20 0.43
LMNA P02545 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.39
MITF O75030 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
SCHEMBL11816011 1.00 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1MAPTHTTGAA
SCHEMBL11817502 0.98 SMN1; SMN2 (0.48) SMN1; SMN2ALDH1A1MAPTHTTGAA
SCHEMBL11812131 0.94 SMN1; SMN2 (0.48) SMN1; SMN2ALDH1A1MAPTHTTGAA
SCHEMBL11634939 0.91 SMN1; SMN2 (0.44) SMN1; SMN2ALDH1A1MAPTHTTGAA
SCHEMBL21143307 0.91 HTT (0.55) SMN1; SMN2ALDH1A1MAPTHTTGAA
SCHEMBL16026649 0.91 HTT (0.55) SMN1; SMN2ALDH1A1MAPTHTTGAA
SCHEMBL11200026 0.89 SMN1; SMN2 (0.52) SMN1; SMN2ALDH1A1MAPTHTTGAA
SCHEMBL11637394 0.86 KDM4E (0.50) SMN1; SMN2ALDH1A1MAPTHTTGAA
SCHEMBL11107158 0.86 HTT (0.51) SMN1; SMN2ALDH1A1MAPTHTTGAA
SCHEMBL14116875 0.82 SMN1; SMN2 (0.43) SMN1; SMN2ALDH1A1MAPTHTTGAA

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-3946038-A CHAIN EXTENDERS FOR POLYURETHANES UNIROYAL, INC. (US) 1976-03-23 US claimed
US-3946038-A CHAIN EXTENDERS FOR POLYURETHANES UNIROYAL, INC. (US) 1976-03-23 US disclosed