SCHEMBL7277696

SCHEMBL7277696

COc1cc2sc(C(=N)NO)cc2cc1OC(F)F

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 17/20 0.59
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
F9 P00740 1/20 0.40
F10 P00742 1/20 0.40
ACHE P22303 1/20 0.37

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
Hydrochloric Acid SCHEMBL7267324 0.99 STING1 (0.58) STING1HDAC3HDAC4HDAC1HDAC7
SCHEMBL3060771 0.89 HDAC3 (0.56) STING1HDAC3HDAC4HDAC1HDAC7
Hydrochloric Acid SCHEMBL4457221 0.88 HDAC3 (0.55) STING1HDAC3HDAC4HDAC1HDAC7
SCHEMBL7277706 0.77 STING1 (0.59) STING1HDAC3HDAC4HDAC1HDAC7
Hydrochloric Acid SCHEMBL7273913 0.76 STING1 (0.50) STING1HDAC3HDAC4HDAC1HDAC7
Hydrochloric Acid SCHEMBL7267330 0.76 STING1 (0.58) STING1HDAC3HDAC4HDAC1HDAC7
Hydrochloric Acid SCHEMBL7277006 0.75 STING1 (0.49) STING1HDAC3HDAC4HDAC1HDAC7
SCHEMBL20022334 0.74 STING1 (1.00) STING1
SCHEMBL20022221 0.74 STING1 (0.83) STING1ACHE
SCHEMBL20862114 0.74 STING1 (0.45) STING1

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