SCHEMBL7104458

SCHEMBL7104458

COc1ccc(-c2sc3cc(OC)ccc3c2C(=O)c2ccccc2)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.76
CNR1 P21554 2/20 0.76
TUBB4A P04350 2/20 0.72
TUBB P07437 2/20 0.72
TUBA3C P0DPH7 2/20 0.72
TUBA1B P68363 2/20 0.72
TUBA4A P68366 2/20 0.72
TUBB4B P68371 2/20 0.72
TUBB3 Q13509 2/20 0.72
TUBB2A Q13885 2/20 0.72
TUBB8 Q3ZCM7 2/20 0.72
TUBA3E Q6PEY2 2/20 0.72
TUBA1A Q71U36 2/20 0.72
TUBA1C Q9BQE3 2/20 0.72
TUBB6 Q9BUF5 2/20 0.72
TUBB2B Q9BVA1 2/20 0.72
TUBB1 Q9H4B7 2/20 0.72
L3MBTL1 Q9Y468 4/20 0.61
TDP1 Q9NUW8 3/20 0.61
ATM Q13315 1/20 0.61

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
SCHEMBL11547042 0.96 CNR1 (0.70) CNR2CNR1TUBB4ATUBBTUBA3C
SCHEMBL11547494 0.95 CNR2 (0.76) CNR2CNR1TUBB4ATUBBTUBA3C
SCHEMBL11546554 0.94 CNR1 (0.67) CNR2CNR1TUBB4ATUBBTUBA3C
SCHEMBL5026252 0.93 CNR1 (0.78) CNR2CNR1TUBB4ATUBBTUBA3C
SCHEMBL7075367 0.92 CNR1 (0.69) CNR2CNR1TUBB4ATUBBTUBA3C
SCHEMBL11550840 0.91 CNR1 (0.71) CNR2CNR1TUBB4ATUBBTUBA3C
SCHEMBL11548696 0.91 CNR2 (0.92) CNR2CNR1TUBB4ATUBBTUBA3C
SCHEMBL11551107 0.89 CNR1 (0.67) CNR2CNR1TUBB4ATUBBTUBA3C
SCHEMBL7148725 0.88 CNR1 (0.70) CNR2CNR1TUBB4ATUBBTUBA3C
SCHEMBL7075354 0.88 CNR1 (0.70) CNR2CNR1TUBB4ATUBBTUBA3C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0819686-B1 Benzothiophene compounds, and uses and formulations thereof LILLY CO ELI (US) 2003-10-01 EP disclosed
US-5780648-A Benzothiophene compounds, and uses formulations thereof ELI LILLY AND COMPANY (US) 1998-07-14 US disclosed
EP-0819686-A1 Benzothiophene compounds, and uses and formulations thereof ELI LILLY AND COMPANY (US) 1998-01-21 EP disclosed
US-4133814-A ANTITUMOR AGENTS ELI LILLY AND COMPANY (US) 1979-01-09 US disclosed