SCHEMBL4622013

SCHEMBL4622013

O=S(=O)(Oc1cc(OS(=O)(=O)c2ccccc2)cc(OS(=O)(=O)c2ccccc2)c1)c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 5/20 0.64
ALDH1A1 P00352 4/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
MAOB P27338 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.50
LMNA P02545 1/20 0.50
HTT P42858 1/20 0.50
CA12 O43570 2/20 0.49
CA2 P00918 2/20 0.49
MAPT P10636 4/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
ENPP3 O14638 1/20 0.46
ENPP1 P22413 1/20 0.46
ENPP2 Q13822 1/20 0.46
GAA P10253 1/20 0.46
MAPK1 P28482 1/20 0.46
HTR6 P50406 1/20 0.46
HSP90AA1 P07900 1/20 0.44
XBP1 P17861 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
SCHEMBL7981247 0.88 TDP1 (0.73) TDP1ALDH1A1SMN1; SMN2MAOBCA12
SCHEMBL19146 0.88 TDP1 (0.73) TDP1ALDH1A1SMN1; SMN2MAOBCA12
SCHEMBL28075403 0.86 TDP1 (0.70) TDP1ALDH1A1SMN1; SMN2MAOBCA12
SCHEMBL1674227 0.86 TDP1 (0.70) TDP1ALDH1A1SMN1; SMN2MAOBCA12
Benzene SCHEMBL27543065 0.86 TDP1 (0.70) TDP1ALDH1A1SMN1; SMN2MAOBCA12
SCHEMBL28157244 0.86 TDP1 (0.70) TDP1ALDH1A1SMN1; SMN2MAOBCA12
SCHEMBL28934632 0.86 TDP1 (0.70) TDP1ALDH1A1SMN1; SMN2MAOBCA12
SCHEMBL28184027 0.86 TDP1 (0.70) TDP1ALDH1A1SMN1; SMN2MAOBCA12
Ammonia Solution, Strong SCHEMBL28247173 0.86 TDP1 (0.70) TDP1ALDH1A1SMN1; SMN2MAOBCA12
Ammonia Solution, Strong SCHEMBL8363523 0.86 TDP1 (0.70) TDP1ALDH1A1SMN1; SMN2MAOBCA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1900743-A1 Organosilyl-Benzo-triazole derivatives, processes for their production and their use as UV protecting agents ISDIN, S.A. (ES) 2008-03-19 EP disclosed
EP-1894936-A1 Organosilyl-Benzo-triazole derivatives, processes for their production and their use as UV protecting agents ISDIN, S.A. (ES) 2008-03-05 EP disclosed