SCHEMBL9432005

SCHEMBL9432005

C=CCc1cccc2sc(C(=O)OC)cc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 6/20 0.45
HDAC3 O15379 2/20 0.45
HDAC4 P56524 2/20 0.45
HDAC1 Q13547 2/20 0.45
HDAC7 Q8WUI4 2/20 0.45
HDAC2 Q92769 2/20 0.45
HDAC10 Q969S8 2/20 0.45
HDAC11 Q96DB2 2/20 0.45
HDAC8 Q9BY41 2/20 0.45
HDAC6 Q9UBN7 2/20 0.45
HDAC9 Q9UKV0 2/20 0.45
HDAC5 Q9UQL6 2/20 0.45
ICAM1 P05362 2/20 0.44
SELE P16581 2/20 0.44
VCAM1 P19320 2/20 0.44
RPS6KB1 P23443 1/20 0.42
CSNK1D P48730 1/20 0.42
GSK3A P49840 1/20 0.42
GSK3B P49841 1/20 0.42
DYRK1A Q13627 1/20 0.42

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
SCHEMBL9431707 0.85 SLC9A1 (0.42) SLC9A1HDAC3HDAC4HDAC1HDAC7
SCHEMBL829143 0.85 SLC9A1 (0.60) SLC9A1HDAC3HDAC4HDAC1HDAC7
SCHEMBL9432087 0.83 SLC9A1 (0.49) SLC9A1HDAC3HDAC4HDAC1HDAC7
SCHEMBL11090568 0.82 HDAC3 (0.51) SLC9A1HDAC3HDAC4HDAC1HDAC7
SCHEMBL9431014 0.82 SLC9A1 (0.48) SLC9A1HDAC3HDAC4HDAC1HDAC7
SCHEMBL9431469 0.82 HDAC3 (0.43) SLC9A1HDAC3HDAC4HDAC1HDAC7
SCHEMBL9431460 0.82 HDAC3 (0.43) SLC9A1HDAC3HDAC4HDAC1HDAC7
SCHEMBL828305 0.80 SLC9A1 (0.60) SLC9A1HDAC3HDAC4HDAC1HDAC7
SCHEMBL9432172 0.78 SLC9A1 (0.42) SLC9A1HDAC3HDAC4HDAC1HDAC7
Hydrochloric Acid SCHEMBL9431356 0.77 PLAU (0.58) SLC9A1ICAM1SELEVCAM1F9

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
US-5340833-A Antiarthritic, antiinflammatory, antitumor agents EISAI CO., LTD. (JP) 1994-08-23 US disclosed
EP-0568289-A2 Benzothiophenes and thienothiophenes and related compounds useful, for example, as urokinase inhibitors Eisai Co., Ltd. (JP) 1993-11-03 EP disclosed