SCHEMBL11898155

SCHEMBL11898155

CCC(O)(c1nnc(NCCc2cc3oc(=O)cc(-c4ccc(F)cc4)c3cc2F)o1)C(F)(F)F

nearest known ligand 0.70

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 6/20 0.70
▸ LIPG Q9Y5X9 1/20 0.34
▸ MAPT P10636 1/20 0.33
▸ GRM2 Q14416 7/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ POLB P06746 2/20 0.33
▸ HPGD P15428 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ MEN1 O00255 1/20 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
SCHEMBL11898156 1.00 ALOX5 (0.70) ALOX5LIPGMAPTGRM2KMT2A
SCHEMBL4075890 0.92 ALOX5 (0.77) ALOX5MAPTGRM2KMT2AMEN1
SCHEMBL4075891 0.92 ALOX5 (0.77) ALOX5MAPTGRM2KMT2AMEN1
SCHEMBL4079807 0.92 ALOX5 (0.77) ALOX5MAPTGRM2KMT2AMEN1
SCHEMBL1998244 0.86 ALOX5 (0.76) ALOX5MAPTGRM2KMT2AMEN1
SCHEMBL4078791 0.85 ALOX5 (0.75) ALOX5MAPTGRM2KMT2AHPGD
Setileuton SCHEMBL1528740 0.82 ALOX5 (1.00) ALOX5GRM2HPGDALDH1A1
Setileuton SCHEMBL13691961 0.82 ALOX5 (1.00) ALOX5GRM2HPGDALDH1A1
Setileuton SCHEMBL1528741 0.82 ALOX5 (1.00) ALOX5GRM2HPGDALDH1A1
Setileuton SCHEMBL29371714 0.82 ALOX5 (1.00) ALOX5GRM2HPGDALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1869031-B1 THIADIAZOLE SUBSTITUTED COUMARIN DERIVATIVES AND THEIR USE AS LEUKOTRIENE BIOSYNTHESIS INHIBITOR MERCK CANADA INC (CA) 2012-08-08 — — EP claimed
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