SCHEMBL9869285

SCHEMBL9869285

COc1ccc(-c2sc3cccnc3c2OC(C)=O)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.51
CNR2 P34972 2/20 0.51
TDP1 Q9NUW8 3/20 0.45
L3MBTL1 Q9Y468 3/20 0.45
ATM Q13315 1/20 0.45
BACE1 P56817 3/20 0.44
CLK4 Q9HAZ1 1/20 0.43
TUBB4A P04350 1/20 0.41
TUBB P07437 1/20 0.41
TUBA3C P0DPH7 1/20 0.41
TUBA1B P68363 1/20 0.41
TUBA4A P68366 1/20 0.41
TUBB4B P68371 1/20 0.41
TUBB3 Q13509 1/20 0.41
TUBB2A Q13885 1/20 0.41
TUBB8 Q3ZCM7 1/20 0.41
TUBA3E Q6PEY2 1/20 0.41
TUBA1A Q71U36 1/20 0.41
TUBA1C Q9BQE3 1/20 0.41
TUBB6 Q9BUF5 1/20 0.41

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
SCHEMBL9869590 0.76 CNR1 (0.48) CNR1CNR2TDP1L3MBTL1ATM
SCHEMBL9870113 0.76 CNR1 (0.45) CNR1CNR2TDP1L3MBTL1ATM
SCHEMBL11549590 0.71 CNR2 (0.88) CNR1CNR2TDP1L3MBTL1ATM
SCHEMBL4859707 0.71 LIMK1 (0.50) ALDH1A1KDM4EHPGDLMNAKMT2A
SCHEMBL4859920 0.70 LIMK1 (0.49) TDP1L3MBTL1ATMALDH1A1KDM4E
SCHEMBL9621138 0.69 SMN1; SMN2 (0.52) BACE1ALDH1A1KDM4EHPGDMAPT
SCHEMBL6173140 0.68 CNR2 (1.00) CNR1CNR2TDP1L3MBTL1ATM
SCHEMBL9671958 0.68 BACE1 (0.49) CNR1CNR2TDP1L3MBTL1ATM
SCHEMBL27448196 0.67 LIMK1 (0.56) TDP1L3MBTL1ATMALDH1A1KDM4E
SCHEMBL9869072 0.67 KDM4E (0.48) TDP1L3MBTL1BACE1ALDH1A1KDM4E

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
US-4767766-A Derivatives of 3-hydroxyazabenzo(B)thiophene useful as 5-lipoxygenase inhibitors MERCK & CO., INC. (US) 1988-08-30 US claimed
US-5006532-A Enzyme inhibitor; antiinflammatory agents MERCK & CO. INC., INC. (US) 1991-04-09 US disclosed
US-4904672-A Derivatives of 3-hydroxyazabenzo[b]thiophene useful as 5-lipoxygenase inhibitors MERCK & CO., INC. (US) 1990-02-27 US disclosed
US-4767766-A Derivatives of 3-hydroxyazabenzo(B)thiophene useful as 5-lipoxygenase inhibitors MERCK & CO., INC. (US) 1988-08-30 US disclosed