SCHEMBL9764825

SCHEMBL9764825

NC(=O)N(O)CCc1ccc2c(c1)sc1c(F)cccc12

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 3/20 0.33
PCSK9 Q8NBP7 1/20 0.32
ALOX5 P09917 4/20 0.32
DYRK1A Q13627 1/20 0.32
DYRK1B Q9Y463 1/20 0.32
SENP1 Q9P0U3 1/20 0.31
MPO P05164 2/20 0.30

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
SCHEMBL9764883 0.83 ALOX5 (0.39) SLC9A1ALOX5DYRK1A
SCHEMBL9764833 0.83 ALOX5 (0.43) ALOX5
SCHEMBL9764852 0.77 PLA2G10 (0.40) ALOX5
SCHEMBL10559630 0.76 ALOX5 (0.42) ALOX5
SCHEMBL9764866 0.75 ALOX5 (0.43) ALOX5
SCHEMBL9764897 0.74 ALOX5 (0.48) ALOX5DYRK1A
SCHEMBL9764814 0.73 ALOX5 (0.45) SLC9A1ALOX5
SCHEMBL10556067 0.72 ALOX5 (0.45) ALOX5
Ammonia Solution, Strong SCHEMBL9764837 0.69 ALDH1A1 (0.39) ALOX5
SCHEMBL9764922 0.69 ALOX5 (0.49) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0422079-A4 TRICYCLIC LIPOXYGENASE INHIBITING COMPOUNDS, COMPOSITIONS, METHODS OF USE 1991-08-21 EP disclosed
EP-0422079-A1 TRICYCLIC LIPOXYGENASE INHIBITING COMPOUNDS, COMPOSITIONS, METHODS OF USE ABBOTT LABORATORIES (US) 1991-04-17 EP disclosed
WO-1989012636-A1 TRICYCLIC LIPOXYGENASE INHIBITING COMPOUNDS, COMPOSITIONS, METHODS OF USE ABBOTT LABORATORIES (US) 1989-12-28 WO disclosed