SCHEMBL22200282

SCHEMBL22200282

CCOc1cc2cc(C(F)(F)CCC(=O)Oc3ccccc3)sc2cc1OC

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 6/20 0.41
CLK1 P49759 1/20 0.40
ACHE P22303 10/20 0.40
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
AKR1C3 P42330 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL22200450 0.94 STING1 (0.44) STING1ACHE
SCHEMBL22200428 0.87 STING1 (0.40) STING1CLK1ACHENPC1MAPT
SCHEMBL22200652 0.83 STING1 (0.40) STING1CLK1ACHENPC1MAPT
SCHEMBL22200301 0.81 STING1 (0.40) STING1CLK1ACHE
SCHEMBL22200396 0.81 STING1 (0.44) STING1CLK1ACHE
SCHEMBL22200286 0.80 STING1 (0.49) STING1ACHE
SCHEMBL22200291 0.79 STING1 (0.47) STING1ACHE
SCHEMBL22200283 0.78 STING1 (0.58) STING1
SCHEMBL24175571 0.78 STING1 (0.52) STING1ACHE
SCHEMBL24175203 0.78 STING1 (0.52) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3907221-A1 FLUORINE-CONTAINING SUBSTITUTED BENZOTHIOPHENE COMPOUND, AND PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2021-11-10 EP disclosed
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