SCHEMBL7277153

SCHEMBL7277153

COc1cc2cc(/C(C)=N/O)sc2cc1OC

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 15/20 0.52
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
HDAC9 Q9UKV0 1/20 0.47
HDAC5 Q9UQL6 1/20 0.47
ACHE P22303 3/20 0.44
F9 P00740 1/20 0.41
F10 P00742 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
SCHEMBL7277165 1.00 STING1 (0.52) STING1HDAC3HDAC4HDAC1HDAC7
SCHEMBL7277158 1.00 STING1 (0.52) STING1HDAC3HDAC4HDAC1HDAC7
SCHEMBL12013385 0.82 STING1 (0.51) STING1HDAC3HDAC4HDAC1HDAC7
SCHEMBL3060776 0.82 STING1 (0.51) STING1HDAC3HDAC4HDAC1HDAC7
Hydrochloric Acid SCHEMBL4457220 0.81 STING1 (0.50) STING1HDAC3HDAC4HDAC1HDAC7
Hydrochloric Acid SCHEMBL29424281 0.81 STING1 (0.50) STING1HDAC3HDAC4HDAC1HDAC7
SCHEMBL7277487 0.80 STING1 (0.52) STING1HDAC3HDAC4HDAC1HDAC7
SCHEMBL7267988 0.80 STING1 (0.52) STING1HDAC3HDAC4HDAC1HDAC7
SCHEMBL9204578 0.79 STING1 (0.63) STING1HDAC3HDAC4HDAC1HDAC7
SCHEMBL1589579 0.76 STING1 (0.68) STING1HDAC3HDAC4HDAC1HDAC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0352832-B1 COMPOUNDS WITH BRONCHODILATOR ACTIVITY AKZO N.V. (NL) 1992-05-06 EP disclosed
US-5026724-A Benzothiophene derivatives AKZO N.V. (NL) 1991-06-25 US disclosed
EP-0352832-A1 Compounds with bronchodilator activity AKZO N.V. (NL) 1990-01-31 EP disclosed