SCHEMBL9074253

SCHEMBL9074253

COC1(c2csc(Sc3ccc4c(c3)CC/C4=N/O)c2)CCOCC1

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 12/20 0.44
HTT P42858 1/20 0.35
BRAF P15056 7/20 0.34
MAPK3 P27361 4/20 0.33
MAPK1 P28482 4/20 0.33

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
SCHEMBL9074251 1.00 ALOX5 (0.44) ALOX5HTTBRAFMAPK3MAPK1
SCHEMBL9074257 1.00 ALOX5 (0.44) ALOX5HTTBRAFMAPK3MAPK1
SCHEMBL9048545 0.87 ALOX5 (0.36) ALOX5HTTBRAF
SCHEMBL9075885 0.87 ALOX5 (0.36) ALOX5HTTBRAF
SCHEMBL9075879 0.87 ALOX5 (0.36) ALOX5HTTBRAF
SCHEMBL9074364 0.87 ALOX5 (0.38) ALOX5
SCHEMBL9074354 0.87 ALOX5 (0.38) ALOX5
SCHEMBL9076131 0.85 ALOX5 (0.41) ALOX5
SCHEMBL9076557 0.85 ALOX5 (0.41) ALOX5
SCHEMBL9076555 0.84 ALOX5 (0.42) ALOX5

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