SCHEMBL11299017

SCHEMBL11299017

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 5/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
TDP1 Q9NUW8 1/20 0.56
SMN1; SMN2 Q16637 3/20 0.50
PGR P06401 3/20 0.50
LMNA P02545 3/20 0.42
MAOB P27338 2/20 0.42
TSHR P16473 1/20 0.42
SOS1 Q07889 1/20 0.42
ALDH1A1 P00352 3/20 0.42
MAPT P10636 2/20 0.42
MEN1 O00255 1/20 0.42
MITF O75030 1/20 0.42
GAA P10253 1/20 0.42
GFER P55789 1/20 0.42
KMT2A Q03164 1/20 0.42
NLRP1 Q9C000 1/20 0.42
NOD2 Q9HC29 1/20 0.42
MAOA P21397 1/20 0.41
MMP2 P08253 1/20 0.40

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
SCHEMBL11297359 1.00 HTT (0.56) HTTL3MBTL1TDP1SMN1; SMN2PGR
SCHEMBL11301021 1.00 HTT (0.56) HTTL3MBTL1TDP1SMN1; SMN2PGR
SCHEMBL11290712 0.98 HTT (0.58) HTTL3MBTL1TDP1SMN1; SMN2PGR
SCHEMBL11295907 0.98 HTT (0.58) HTTL3MBTL1TDP1SMN1; SMN2PGR
SCHEMBL11291876 0.98 HTT (0.58) HTTL3MBTL1TDP1SMN1; SMN2PGR
SCHEMBL11300430 0.97 HTT (0.59) HTTL3MBTL1TDP1SMN1; SMN2PGR
SCHEMBL11292296 0.97 HTT (0.59) HTTL3MBTL1TDP1SMN1; SMN2PGR
SCHEMBL11295346 0.97 HTT (0.59) HTTL3MBTL1TDP1SMN1; SMN2PGR
SCHEMBL11293951 0.95 HTT (0.61) HTTL3MBTL1TDP1SMN1; SMN2PGR
SCHEMBL11300223 0.95 HTT (0.61) 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