SCHEMBL7267993

SCHEMBL7267993

COc1cc2cc(CC(C)=NO)sc2cc1OC

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 15/20 0.43
ACHE P22303 3/20 0.38
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35

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
SCHEMBL7277484 1.00 STING1 (0.43) STING1ACHEPDE4APDE4BPDE4C
SCHEMBL7267985 1.00 STING1 (0.43) STING1ACHEPDE4APDE4BPDE4C
SCHEMBL9538714 0.78 STING1 (0.58) STING1
SCHEMBL7028472 0.77 PDE4A (0.50) STING1ACHEPDE4APDE4BPDE4C
SCHEMBL7032744 0.74 STING1 (0.45) STING1ACHEPDE4APDE4BPDE4C
SCHEMBL9538220 0.74 STING1 (0.45) STING1ACHEPDE4APDE4BPDE4C
SCHEMBL7277158 0.73 STING1 (0.52) STING1ACHEHDAC3HDAC4HDAC1
SCHEMBL7277153 0.73 STING1 (0.52) STING1ACHEHDAC3HDAC4HDAC1
SCHEMBL7277165 0.73 STING1 (0.52) STING1ACHEHDAC3HDAC4HDAC1
SCHEMBL21531616 0.70 STING1 (0.49) STING1ACHE

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