SCHEMBL5320663

SCHEMBL5320663

NS(=O)(=O)C(C(=O)O)c1cc2ccccc2[nH]1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 1/20 0.49
▸ CA2 P00918 3/20 0.49
▸ KDM4E B2RXH2 3/20 0.46
▸ DAO P14920 2/20 0.46
▸ MAPT P10636 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ SRD5A2 P31213 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ CA12 O43570 2/20 0.46
▸ CA1 P00915 2/20 0.46
▸ CA9 Q16790 2/20 0.46
▸ ADAMTS4 O75173 1/20 0.44
▸ FLT3 P36888 1/20 0.44
▸ DDO Q99489 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ NPC1 O15118 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ BCAT1 P54687 1/20 0.41

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
SCHEMBL8003423 0.78 ALOX5 (0.54) ALOX5CA2KDM4EDAOMAPT
SCHEMBL30508997 0.78 ALOX5 (0.54) ALOX5CA2KDM4EDAOMAPT
SCHEMBL15416243 0.77 KDM4E (0.55) ALOX5KDM4EDAOMAPTHPGD
SCHEMBL10722048 0.76 CA2 (0.53) ALOX5CA2KDM4EDAOMAPT
SCHEMBL9868223 0.76 KDM4E (0.53) ALOX5KDM4EDAOMAPTHPGD
SCHEMBL1767751 0.74 ALOX5 (0.57) ALOX5KDM4EDAOMAPTHPGD
SCHEMBL29875597 0.74 ALOX5 (0.57) ALOX5KDM4EDAOMAPTHPGD
Alanine SCHEMBL28826582 0.74 ALOX5 (0.57) ALOX5KDM4EDAOMAPTHPGD
SCHEMBL25275820 0.73 ALOX5 (0.59) ALOX5KDM4EDAOMAPTHPGD
SCHEMBL5851328 0.72 ALOX5 (0.51) ALOX5KDM4EDAOMAPTHPGD

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
EP-1778633-A1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION Biolipox AB (SE) 2007-05-02 — — EP disclosed
WO-2005123674-A1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2005-12-29 — — WO disclosed
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