SCHEMBL9077130

SCHEMBL9077130

CO[C@]1(c2csc(Sc3ccc4c(c3)CC/C4=N\O)c2)CCO[C@@H]1C

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.33
ALOX5 P09917 3/20 0.33
BRAF P15056 9/20 0.32
MAPK3 P27361 6/20 0.32
MAPK1 P28482 6/20 0.32

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
SCHEMBL9077136 1.00 HTT (0.33) HTTALOX5BRAFMAPK3MAPK1
SCHEMBL9077133 1.00 HTT (0.33) HTTALOX5BRAFMAPK3MAPK1
SCHEMBL9076849 1.00 HTT (0.33) HTTALOX5BRAFMAPK3MAPK1
SCHEMBL9076846 1.00 HTT (0.33) HTTALOX5BRAFMAPK3MAPK1
SCHEMBL9074879 0.88 ALOX5 (0.32) ALOX5
SCHEMBL9051191 0.87 ALOX5 (0.35) ALOX5
SCHEMBL9046459 0.87 ALOX5 (0.35) ALOX5
SCHEMBL9074018 0.86 ALDH1A1 (0.33) ALOX5
SCHEMBL9075774 0.85 ALOX5 (0.38) ALOX5
SCHEMBL9075885 0.84 ALOX5 (0.36) HTTALOX5BRAF

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-5482966-A LIPOXYGENASE ENZYME INHIBITORS AS ANTIINFLAMMATORY AGENTS ZENECA LIMITED (GB) 1996-01-09 US disclosed
US-5332757-A Enzyme inhibitors ZENECA LIMITED (GB) 1994-07-26 US disclosed