SCHEMBL16646174

SCHEMBL16646174

Nc1cccc(CNc2ccc([S+]([O-])Nc3nccs3)cc2)c1O

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX12 P18054 8/20 0.50
GAA P10253 3/20 0.48
ALDH1A1 P00352 3/20 0.48
LMNA P02545 1/20 0.48
MAPK1 P28482 1/20 0.48
PKM P14618 1/20 0.41
KMT2A Q03164 3/20 0.41
MAPT P10636 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MEN1 O00255 2/20 0.36
CA2 P00918 2/20 0.36
ACHE P22303 2/20 0.36
CA1 P00915 2/20 0.35
CA12 O43570 1/20 0.35
CA9 Q16790 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL16646117 0.88 ALOX12 (0.66) ALOX12GAAALDH1A1LMNAMAPK1
SCHEMBL16646175 0.81 ALOX12 (0.52) ALOX12GAAALDH1A1LMNAMAPK1
SCHEMBL18356219 0.79 ALOX12 (0.78) ALOX12GAAALDH1A1LMNAMAPK1
SCHEMBL16646116 0.78 ALOX12 (0.40) ALOX12GAAALDH1A1LMNAMAPK1
SCHEMBL12534309 0.73 LMNA (0.51) GAAALDH1A1LMNAMAPK1PKM
SCHEMBL16646173 0.71 ALDH1A1 (0.47) ALOX12GAAALDH1A1LMNAMAPK1
SCHEMBL2987096 0.70 CA2 (0.49) ALOX12GAAALDH1A1LMNAMAPK1
SCHEMBL16646177 0.68 ALOX12 (0.68) ALOX12GAAALDH1A1LMNAMAPK1
SCHEMBL16646115 0.68 ALOX12 (0.67) ALOX12GAAALDH1A1LMNAMAPK1
SCHEMBL18560178 0.67 ALDH1A1 (0.47) GAAALDH1A1MAPK1PKMKMT2A

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
WO-2015054662-A1 4-((2-HYDROXY-3-METHOXYBENZYL)AMINO) BENZENESULFONAMIDE DERIVATIVES AS 12-LIPOXYGENASE INHIBITORS EASTERN VIRGINIA MEDICAL SCHOOL (US) 2015-04-16 WO disclosed