SCHEMBL8458306

SCHEMBL8458306

CC#CC1Cc2cc([Si](C)(C)C)sc2C(N)=N1

nearest known ligand 0.62

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 7/20 0.62
NOS3 P29474 5/20 0.62

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
SCHEMBL8459278 0.84 NOS2 (0.69) NOS2NOS3
Hydrochloric Acid SCHEMBL8099229 0.84 NOS2 (0.63) NOS2NOS3
Hydrochloric Acid SCHEMBL8098237 0.74 NOS2 (0.55) NOS2NOS3
SCHEMBL8451869 0.71 NOS2 (0.68) NOS2NOS3
Hydrochloric Acid SCHEMBL8090630 0.71 NOS2 (0.37) NOS2NOS3
Hydrochloric Acid SCHEMBL8105956 0.69 NOS3 (0.40) NOS2NOS3
Hydrochloric Acid SCHEMBL8098981 0.69 NOS2 (0.64) NOS2NOS3
Hydrochloric Acid SCHEMBL8090909 0.67 NOS2 (0.36) NOS2NOS3
SCHEMBL8458416 0.67 NOS2 (0.40) NOS2NOS3
SCHEMBL8060954 0.66 NOS2 (1.00) NOS2NOS3

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-0892784-A1 AMINOISOQUINOLINES AND AMINOTHIENOPYRIDINE DERIVATIVES AND THEIR USE AS ANTI-INFLAMMATORY AGENTS Astra Pharmaceuticals Limited (GB) 1999-01-27 EP disclosed
WO-1997038977-A1 AMINOISOQUINOLINES AND AMINOTHIENOPYRIDINE DERIVATIVES AND THEIR USE AS ANTI-INFLAMMATORY AGENTS ASTRA PHARMACEUTICALS LTD. (GB) 1997-10-23 WO disclosed