SCHEMBL8826550

SCHEMBL8826550

CO[Si](CCCc1cccc(SSc2cccc(CCC[Si](OC)(OC)OC)c2-c2nc3ccccc3s2)c1-c1nc2ccccc2s1)(OC)OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.42
RAB9A P51151 4/20 0.42
MAPT P10636 4/20 0.42
TDP1 Q9NUW8 2/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
KDM4E B2RXH2 5/20 0.41
NPC1 O15118 3/20 0.41
PKM P14618 1/20 0.41
PTGS2 P35354 1/20 0.41
ALDH1A1 P00352 5/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
HPGD P15428 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HCRTR1 O43613 2/20 0.40
GLA P06280 2/20 0.40
GAA P10253 2/20 0.40
ILK Q13418 10/20 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
SCHEMBL8826755 0.96 SMN1; SMN2 (0.40) SMN1; SMN2RAB9AMAPTTDP1NFKB1
SCHEMBL8826672 0.96 SMN1; SMN2 (0.40) SMN1; SMN2RAB9AMAPTTDP1NFKB1
SCHEMBL8826664 0.95 SMN1; SMN2 (0.40) SMN1; SMN2RAB9AMAPTTDP1NFKB1
SCHEMBL8826837 0.95 SMN1; SMN2 (0.40) SMN1; SMN2RAB9AMAPTTDP1NFKB1
SCHEMBL8826979 0.93 SMN1; SMN2 (0.43) SMN1; SMN2RAB9AMAPTTDP1NFKB1
SCHEMBL8826860 0.89 PTGS2 (0.40) SMN1; SMN2RAB9AMAPTTDP1NFKB1
SCHEMBL8827217 0.89 SMN1; SMN2 (0.42) SMN1; SMN2RAB9AMAPTTDP1NFKB1
SCHEMBL8826402 0.89 SMN1; SMN2 (0.42) SMN1; SMN2RAB9AMAPTTDP1NFKB1
SCHEMBL8826408 0.88 SMN1; SMN2 (0.41) SMN1; SMN2RAB9AMAPTTDP1NFKB1
SCHEMBL8826920 0.88 SMN1; SMN2 (0.41) SMN1; SMN2RAB9AMAPTTDP1NFKB1

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-5684172-A REACTING BENZOTHIAZOLYL MORPHOLINYL DISULFIDE WITH A MERCAPTOALKYLALKOXYSILANE THE GOODYEAR TIRE & RUBBER COMPANY (US) 1997-11-04 US disclosed