SCHEMBL26546404

SCHEMBL26546404

COc1cccc(CNc2ccc(SNc3cccc(C4CCNCC4)c3)cc2)c1O

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX12 P18054 16/20 0.70
MAPT P10636 3/20 0.45
GAA P10253 3/20 0.45
ALOX15 P16050 2/20 0.44
KDM4E B2RXH2 2/20 0.44
MEN1 O00255 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
KMT2A Q03164 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
NFKB1 P19838 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 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
SCHEMBL30580742 0.82 ALOX12 (1.00) ALOX12ALOX15
SCHEMBL16646106 0.82 ALOX12 (1.00) ALOX12ALOX15
SCHEMBL26546263 0.82 ALOX12 (0.70) ALOX12MAPTGAAALOX15KDM4E
SCHEMBL26546259 0.79 ALOX12 (0.66) ALOX12MAPTGAAALOX15KDM4E
SCHEMBL26546267 0.79 ALOX12 (0.68) ALOX12MAPTGAAALOX15KDM4E
SCHEMBL26546300 0.76 ALOX12 (0.70) ALOX12MAPTGAAALOX15KDM4E
SCHEMBL16634464 0.75 ALOX12 (1.00) ALOX12ALOX15
SCHEMBL26546320 0.75 ALOX12 (0.66) ALOX12MAPTGAAALOX15KDM4E
SCHEMBL26546203 0.72 KDM4E (0.77) ALOX12MAPTGAAALOX15KDM4E
SCHEMBL26546120 0.72 ALOX12 (0.65) ALOX12MAPTGAAALOX15KDM4E

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-3054936-B1 4-((2-HYDROXY-3-METHOXYBENZYL)AMINO) BENZENESULFONAMIDE DERIVATIVES AS 12-LIPOXYGENASE INHIBITORS EASTERN VIRGINIA MEDICAL SCHOOL (US) 2023-10-18 EP disclosed