SCHEMBL11295346

SCHEMBL11295346

O=S(=O)(c1ccc(Oc2ccc(Oc3ccc(S(=O)(=O)c4ccc(Oc5cccc(Oc6ccc(S(=O)(=O)c7ccc(Oc8cccc(Br)c8)cc7)cc6)c5)cc4)cc3)cc2)cc1)c1ccc(Oc2cccc(Br)c2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.59
L3MBTL1 Q9Y468 2/20 0.59
TDP1 Q9NUW8 1/20 0.59
SMN1; SMN2 Q16637 3/20 0.53
PGR P06401 3/20 0.52
LMNA P02545 2/20 0.45
SOS1 Q07889 2/20 0.44
ALDH1A1 P00352 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
MITF O75030 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
GFER P55789 1/20 0.44
NLRP1 Q9C000 1/20 0.44
NOD2 Q9HC29 1/20 0.44
MMP2 P08253 2/20 0.42
MMP3 P08254 2/20 0.42
MMP9 P14780 2/20 0.42
MMP14 P50281 2/20 0.42

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
SCHEMBL11300430 1.00 HTT (0.59) HTTL3MBTL1TDP1SMN1; SMN2PGR
SCHEMBL11292296 1.00 HTT (0.59) HTTL3MBTL1TDP1SMN1; SMN2PGR
SCHEMBL10964994 0.98 HTT (0.61) HTTL3MBTL1TDP1SMN1; SMN2PGR
SCHEMBL11293951 0.98 HTT (0.61) HTTL3MBTL1TDP1SMN1; SMN2PGR
SCHEMBL11300223 0.98 HTT (0.61) HTTL3MBTL1TDP1SMN1; SMN2PGR
SCHEMBL11299017 0.97 HTT (0.56) HTTL3MBTL1TDP1SMN1; SMN2PGR
SCHEMBL11297359 0.97 HTT (0.56) HTTL3MBTL1TDP1SMN1; SMN2PGR
SCHEMBL11301021 0.97 HTT (0.56) HTTL3MBTL1TDP1SMN1; SMN2PGR
SCHEMBL11291876 0.95 HTT (0.58) HTTL3MBTL1TDP1SMN1; SMN2PGR
SCHEMBL11290712 0.95 HTT (0.58) HTTL3MBTL1TDP1SMN1; SMN2PGR

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-4356325-A Process for preparation of acetylene terminated sulfones, oligomers and precursors therefor GULF RESEARCH & DEVELOPMENT COMPANY (US) 1982-10-26 US disclosed