SCHEMBL9075901

SCHEMBL9075901

COC1(c2ncc(Sc3ccc(/C(C)=N/O)c(C(C)=O)c3)s2)CCOC1C

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ITK Q08881 10/20 0.33
TXK P42681 3/20 0.33
JAK3 P52333 3/20 0.33
BTK Q06187 1/20 0.33
NTRK1 P04629 3/20 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
SCHEMBL9076868 0.92 ITK (0.32) ITKTXKJAK3BTKNTRK1
SCHEMBL9076775 0.85 ALOX5 (0.32)
SCHEMBL9076779 0.85 ALOX5 (0.32)
SCHEMBL9076782 0.85
SCHEMBL9050480 0.83 ALOX5 (0.38) ITKNTRK1
SCHEMBL9051154 0.76
SCHEMBL9077334 0.74
SCHEMBL9051562 0.71 ALOX5 (0.38) ITKNTRK1
SCHEMBL9076523 0.70 ALOX5 (0.34)
SCHEMBL9076525 0.70 ALOX5 (0.34)

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