SCHEMBL26545834

SCHEMBL26545834

COc1cccc(CNc2ccc(SNc3nccs3)cc2)c1O

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.71
ALOX12 P18054 14/20 0.67
ALDH1A1 P00352 3/20 0.67
LMNA P02545 2/20 0.67
MAPK1 P28482 1/20 0.67
MAPT P10636 3/20 0.47
NPC1 O15118 2/20 0.47
KDM4E B2RXH2 2/20 0.47
HPGD P15428 2/20 0.47
HTT P42858 2/20 0.47
NFKB1 P19838 1/20 0.47
RAB9A P51151 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ALOX15 P16050 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46

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
SCHEMBL26545984 0.84 ALOX12 (0.65) GAAALOX12ALDH1A1LMNAMAPK1
SCHEMBL26545988 0.84 ALOX12 (0.65) GAAALOX12ALDH1A1LMNAMAPK1
SCHEMBL26546120 0.82 ALOX12 (0.65) GAAALOX12ALDH1A1LMNAMAPK1
SCHEMBL26545845 0.82 MAPT (0.47) GAAALOX12ALDH1A1LMNAMAPK1
SCHEMBL16646082 0.80 ALOX12 (1.00) GAAALOX12ALDH1A1LMNAMAPK1
SCHEMBL26546033 0.80 ALOX12 (0.67) GAAALOX12ALDH1A1LMNAMAPK1
SCHEMBL26545931 0.80 ALDH1A1 (0.48) GAAALOX12ALDH1A1LMNAMAPK1
SCHEMBL27072709 0.79 ALOX12 (0.68) GAAALOX12ALDH1A1LMNAMAPK1
SCHEMBL26546320 0.79 ALOX12 (0.66) GAAALOX12ALDH1A1LMNAMAPK1
SCHEMBL26545970 0.78 ALOX12 (0.51) GAAALOX12ALDH1A1LMNAMAPK1

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