SCHEMBL8158192

SCHEMBL8158192

COc1ccc(-c2sc3cc(OC)ccc3c2C#N)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 2/20 0.53
TUBB P07437 2/20 0.53
TUBA3C P0DPH7 2/20 0.53
TUBA1B P68363 2/20 0.53
TUBA4A P68366 2/20 0.53
TUBB4B P68371 2/20 0.53
TUBB3 Q13509 2/20 0.53
TUBB2A Q13885 2/20 0.53
TUBB8 Q3ZCM7 2/20 0.53
TUBA3E Q6PEY2 2/20 0.53
TUBA1A Q71U36 2/20 0.53
TUBA1C Q9BQE3 2/20 0.53
TUBB6 Q9BUF5 2/20 0.53
TUBB2B Q9BVA1 2/20 0.53
TUBB1 Q9H4B7 2/20 0.53
ATM Q13315 10/20 0.51
L3MBTL1 Q9Y468 5/20 0.50
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
TDP1 Q9NUW8 2/20 0.47

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
SCHEMBL6994300 0.79 HTT (0.44) L3MBTL1MEN1KMT2ATDP1
SCHEMBL8643567 0.78 TUBB4A (0.58) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL7936769 0.77 MAPT (0.59) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL7936838 0.77 TUBB4A (0.57) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL6832588 0.77 TUBB4A (0.57) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL6812421 0.77 TUBB4A (0.57) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL7944406 0.77 TUBB4A (0.57) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL5805363 0.76 TUBB4A (0.65) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL15963585 0.75 TUBB4A (0.61) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL8641663 0.75 TUBB4A (0.54) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6018056-A Intermediates and processes for preparing benzo (b) thiophenes ELI LILLY AND COMPANY (US) 2000-01-25 US disclosed