SCHEMBL26545845

SCHEMBL26545845

Oc1ccccc1CNc1ccc(SNc2nccs2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.47
ALOX12 P18054 7/20 0.45
PKM P14618 1/20 0.45
ALDH1A1 P00352 3/20 0.43
GAA P10253 2/20 0.43
LMNA P02545 2/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
HIF1A Q16665 1/20 0.43
MAPK1 P28482 1/20 0.43
HPGD P15428 2/20 0.43
HTT P42858 2/20 0.41
RAB9A P51151 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
APP P05067 1/20 0.41
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 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
SCHEMBL26545899 0.86 ILK (0.44) MAPTALOX12PKMALDH1A1GAA
SCHEMBL26545988 0.84 ALOX12 (0.65) MAPTALOX12PKMALDH1A1GAA
SCHEMBL26546062 0.84 ALOX12 (0.54) MAPTALOX12PKMALDH1A1CA12
SCHEMBL26545984 0.84 ALOX12 (0.65) MAPTALOX12PKMALDH1A1GAA
SCHEMBL26546076 0.84 PKM (0.49) MAPTALOX12PKMALDH1A1GAA
SCHEMBL26546033 0.82 ALOX12 (0.67) ALOX12PKMALDH1A1GAALMNA
SCHEMBL26545834 0.82 GAA (0.71) MAPTALOX12ALDH1A1GAALMNA
SCHEMBL26545970 0.81 ALOX12 (0.51) MAPTALOX12PKMALDH1A1GAA
SCHEMBL27821552 0.80 GAA (0.60) MAPTPKMALDH1A1GAACA12
SCHEMBL16646129 0.77 ALOX12 (0.74) MAPTALOX12PKMALDH1A1GAA

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
WO-2024019959-A1 COMPOSITIONS FOR MODULATING LIPOXYGENASE AND METHODS OF USING SAME THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2024-01-25 WO disclosed
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