SCHEMBL1665211

SCHEMBL1665211

O=C(Cl)c1ccc(OS(=O)(=O)c2ccccc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.64
ENPP3 O14638 6/20 0.59
ENPP1 P22413 6/20 0.59
ENPP2 Q13822 4/20 0.55
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
ADAMTS4 O75173 1/20 0.49
CA2 P00918 1/20 0.49
CA9 Q16790 1/20 0.49
MAPT P10636 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
STS P08842 1/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
MAOB P27338 1/20 0.47
ALDH1A1 P00352 2/20 0.46
ABL1 P00519 1/20 0.46
EGFR P00533 1/20 0.46
ABL2 P42684 1/20 0.46
SENP8 Q96LD8 1/20 0.46

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
SCHEMBL11413479 0.91 MEN1 (0.55) TDP1ENPP3ENPP1ENPP2MEN1
SCHEMBL11964254 0.86 MEN1 (0.67) TDP1ENPP3ENPP1ENPP2MEN1
SCHEMBL27862315 0.84 MEN1 (0.65) TDP1ENPP3ENPP1ENPP2MEN1
SCHEMBL1665319 0.83 ENPP1 (0.61) ENPP3ENPP1ENPP2MEN1KMT2A
SCHEMBL687294 0.83 KMT2A (0.72) TDP1ENPP3ENPP1ENPP2MEN1
SCHEMBL1665974 0.80 SMN1; SMN2 (0.68) TDP1ENPP3ENPP1ENPP2MEN1
SCHEMBL19146 0.79 TDP1 (0.73) TDP1ENPP3ENPP1ENPP2KMT2A
SCHEMBL7981247 0.79 TDP1 (0.73) TDP1ENPP3ENPP1ENPP2KMT2A
SCHEMBL2291594 0.79 TDP1 (0.54) TDP1ENPP3ENPP1ENPP2MEN1
SCHEMBL7190628 0.79 MEN1 (0.67) TDP1ENPP3ENPP1ENPP2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2314581-B1 A process for preparing benzo[b]thiophene derivatives HEXAL AG (DE) 2012-07-25 EP disclosed
EP-2322519-A1 A process for preparing benzo[b]thiophene derivatives Hexal AG (DE) 2011-05-18 EP disclosed
WO-2011047878-A2 A PROCESS FOR PREPARING BENZO[B]THIOPHENE DERIVATIVES HEXAL AKTIENGESELLSCHAFT (DE) 2011-04-28 WO disclosed
WO-2011047877-A1 A PROCESS FOR PREPARING BENZO[B]THIOPHENE DERIVATIVES HEXAL AKTIENGESELLSCHAFT (DE) 2011-04-28 WO disclosed
EP-2314581-A1 A process for preparing benzo[b]thiophene derivatives Hexal AG (DE) 2011-04-27 EP disclosed