SCHEMBL28135366

SCHEMBL28135366

CCOCc1ccc(OS(=O)(=O)c2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.54
L3MBTL1 Q9Y468 2/20 0.48
GAA P10253 1/20 0.48
MAPK1 P28482 1/20 0.48
MAPT P10636 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
ALDH1A1 P00352 1/20 0.46
MAOB P27338 2/20 0.43
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
CA2 P00918 4/20 0.41
CA12 O43570 3/20 0.41
ENPP3 O14638 3/20 0.40
ENPP1 P22413 3/20 0.40
CA9 Q16790 2/20 0.40
ADAMTS4 O75173 1/20 0.40
ENPP2 Q13822 1/20 0.40
F2 P00734 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
SCHEMBL8837781 0.81 TDP1 (0.57) TDP1L3MBTL1GAAMAPK1MAPT
SCHEMBL3838670 0.80 TDP1 (0.65) TDP1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL1827217 0.80 ALDH1A1 (0.51) TDP1L3MBTL1MAPK1MAPTNPC1
SCHEMBL10180729 0.77 TDP1 (0.53) TDP1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL27341665 0.77 TDP1 (0.61) TDP1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL8397965 0.77 MAPT (0.56) TDP1L3MBTL1GAAMAPK1MAPT
SCHEMBL1821229 0.76 TDP1 (0.46) TDP1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL19146 0.75 TDP1 (0.73) TDP1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL7981247 0.75 TDP1 (0.73) TDP1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL9495042 0.74 TDP1 (0.67) TDP1MAPTNPC1RAB9ASMN1; SMN2

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
CN-104769006-B Regioregular copolymers and process for their preparation 英派尔科技开发有限公司 2017-03-08 CN disclosed