SCHEMBL22200301

SCHEMBL22200301

CCOc1cc2sc(C(F)(F)CCC(=O)N(C)O)cc2cc1OC

nearest known ligand 0.40

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 13/20 0.40
ACHE P22303 5/20 0.36
CLK1 P49759 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
SCHEMBL22200394 0.94 STING1 (0.44) STING1ACHE
SCHEMBL22200652 0.86 STING1 (0.40) STING1ACHECLK1
SCHEMBL23999274 0.83 STING1 (0.45) STING1ACHE
SCHEMBL22200399 0.82 STING1 (0.43) STING1ACHE
SCHEMBL22200409 0.82 STING1 (0.44) STING1ACHE
SCHEMBL24175104 0.81 STING1 (0.41) STING1ACHE
SCHEMBL22200292 0.81 STING1 (0.46) STING1
SCHEMBL23999281 0.81 STING1 (0.41) STING1ACHE
SCHEMBL22200282 0.81 STING1 (0.41) STING1ACHECLK1
SCHEMBL22200403 0.80 ACHE (0.41) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020140894-A1 FLUORINE-CONTAINING SUBSTITUTED BENZOTHIOPHENE COMPOUND, AND PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF 中国科学院上海药物研究所 2020-07-09 WO disclosed