SCHEMBL27428841

SCHEMBL27428841

O=S(=O)(Oc1ccc(Br)cc1)c1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.67
CA2 P00918 3/20 0.53
CA1 P00915 1/20 0.53
CA9 Q16790 1/20 0.53
MAPT P10636 2/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
MAOB P27338 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.49
CA12 O43570 2/20 0.48
ENPP3 O14638 5/20 0.47
ENPP1 P22413 5/20 0.47
ENPP2 Q13822 3/20 0.46
ALDH1A1 P00352 2/20 0.46
LMNA P02545 1/20 0.45
HTT P42858 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
IDO1 P14902 1/20 0.44

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
SCHEMBL11313379 0.94 TDP1 (0.61) TDP1CA2CA1CA9MAPT
SCHEMBL8599495 0.89 TDP1 (0.54) TDP1CA2CA1CA9MAPT
SCHEMBL8602840 0.89 TDP1 (0.54) TDP1CA2CA1CA9MAPT
SCHEMBL7981247 0.85 TDP1 (0.73) TDP1CA2CA1CA9MAPT
SCHEMBL19146 0.85 TDP1 (0.73) TDP1CA2CA1CA9MAPT
SCHEMBL9309112 0.83 TDP1 (0.71) TDP1CA2CA1CA9MAPT
Ammonia Solution, Strong SCHEMBL8363523 0.83 TDP1 (0.70) TDP1CA2CA1CA9MAPT
SCHEMBL28934632 0.83 TDP1 (0.70) TDP1CA2CA1CA9MAPT
SCHEMBL1674227 0.83 TDP1 (0.70) TDP1CA2CA1CA9MAPT
SCHEMBL2058543 0.82 TDP1 (0.69) TDP1CA2CA1CA9MAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115484950-A Agents for use in the treatment of tissue damage UCL商业有限责任公司 2022-12-16 CN disclosed
CN-1086700-C Benzothiophene compounds, intermediates, compositions, and methods LILLY CO ELI (US) 2002-06-26 CN disclosed
CN-1159448-A Benzothiophene compounds, intermediates, compositions, and methods LILLY CO ELI (US) 1997-09-17 CN disclosed