SCHEMBL1665987

SCHEMBL1665987

COc1ccc(-c2sc3cc(OC)ccc3c2C(=O)c2ccc(OS(=O)(=O)c3ccc(C)cc3)cc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 6/20 0.67
ENPP3 O14638 6/20 0.67
TUBB4A P04350 2/20 0.58
TUBB P07437 2/20 0.58
TUBA3C P0DPH7 2/20 0.58
TUBA1B P68363 2/20 0.58
TUBA4A P68366 2/20 0.58
TUBB4B P68371 2/20 0.58
TUBB3 Q13509 2/20 0.58
TUBB2A Q13885 2/20 0.58
TUBB8 Q3ZCM7 2/20 0.58
TUBA3E Q6PEY2 2/20 0.58
TUBA1A Q71U36 2/20 0.58
TUBA1C Q9BQE3 2/20 0.58
TUBB6 Q9BUF5 2/20 0.58
TUBB2B Q9BVA1 2/20 0.58
TUBB1 Q9H4B7 2/20 0.58
CNR1 P21554 1/20 0.57
CNR2 P34972 1/20 0.57
ESR1 P03372 8/20 0.55

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
SCHEMBL1665367 0.91 ENPP1 (0.65) ENPP1ENPP3TUBB4ATUBBTUBA3C
SCHEMBL7148725 0.89 CNR1 (0.70) ENPP1ENPP3TUBB4ATUBBTUBA3C
SCHEMBL1665215 0.85 TUBB4A (0.65) ENPP1ENPP3TUBB4ATUBBTUBA3C
SCHEMBL5026252 0.84 CNR1 (0.78) ENPP1ENPP3TUBB4ATUBBTUBA3C
SCHEMBL1665989 0.84 CNR1 (0.61) ENPP1ENPP3TUBB4ATUBBTUBA3C
SCHEMBL19308141 0.83 CNR1 (0.72) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL7120909 0.82 TUBB4A (0.61) ENPP1ENPP3TUBB4ATUBBTUBA3C
SCHEMBL1665968 0.80 CNR1 (0.67) ENPP1ENPP3TUBB4ATUBBTUBA3C
Potassium Ion SCHEMBL1666052 0.80 CNR1 (0.67) ENPP1ENPP3TUBB4ATUBBTUBA3C
SCHEMBL1665792 0.80 CNR1 (0.70) TUBB4ATUBBTUBA3CTUBA1BTUBA4A

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