SCHEMBL7102048

SCHEMBL7102048

COc1ccc2c(Br)c(-c3ccc(F)c(OC)c3)sc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 4/20 0.49
TUBB P07437 4/20 0.49
TUBA3C P0DPH7 4/20 0.49
TUBA1B P68363 4/20 0.49
TUBA4A P68366 4/20 0.49
TUBB4B P68371 4/20 0.49
TUBB3 Q13509 4/20 0.49
TUBB2A Q13885 4/20 0.49
TUBB8 Q3ZCM7 4/20 0.49
TUBA3E Q6PEY2 4/20 0.49
TUBA1A Q71U36 4/20 0.49
TUBA1C Q9BQE3 4/20 0.49
TUBB6 Q9BUF5 4/20 0.49
TUBB2B Q9BVA1 4/20 0.49
TUBB1 Q9H4B7 4/20 0.49
L3MBTL1 Q9Y468 3/20 0.41
APP P05067 1/20 0.39
CLK1 P49759 1/20 0.38
HSP90AA1 P07900 1/20 0.38
KMT2A Q03164 2/20 0.38

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
SCHEMBL15954170 0.91 TUBB4A (0.48) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL15953202 0.85 APP (0.50) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL6832588 0.84 TUBB4A (0.57) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL7103621 0.84 MAPT (0.51) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL15953721 0.84 TUBB4A (0.49) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL26625250 0.82 TUBB4A (0.49) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL20425283 0.82 TUBB4A (0.51) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL30610956 0.82 TUBB4A (0.51) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL7107022 0.81 L3MBTL1 (0.49) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL7944332 0.80 TUBB4A (0.49) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0827959-B1 Benzo[B]thiophene compounds, intermediates, processes, compositions, and methods LILLY CO ELI (US) 2003-12-03 EP disclosed
US-5977382-A Benzo[b]thiophene compounds, intermediates, processes, compositions, and methods ELI LILLY AND COMPANY (US) 1999-11-02 US disclosed
US-5977098-A Benzo[B]thiophene compounds, intermediates, processes, compositions, and methods ELI LILLY AND COMPANY (US) 1999-11-02 US disclosed
US-5952513-A TREATING POSTMENOPAUSAL SYNDROME SUCH AS OSTEOPOROSIS ELI LILLY AND COMPANY (US) 1999-09-14 US disclosed
US-5843965-A Benzo B! thiophene compounds, intermediates, processes, compositions, and methods ELI LILLY AND COMPANY (US) 1998-12-01 US disclosed
EP-0827959-A2 Benzo[B]thiophene compounds, intermediates, processes, compositions, and methods ELI LILLY AND COMPANY (US) 1998-03-11 EP disclosed