SCHEMBL26546320

SCHEMBL26546320

COc1cccc(CNc2ccc(SNc3cccnc3)cc2)c1O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX12 P18054 12/20 0.66
ALOX15 P16050 2/20 0.50
GAA P10253 5/20 0.49
MAPT P10636 4/20 0.49
ALDH1A1 P00352 3/20 0.49
NPC1 O15118 3/20 0.49
KDM4E B2RXH2 2/20 0.49
HPGD P15428 2/20 0.49
HTT P42858 2/20 0.49
LMNA P02545 2/20 0.49
NFKB1 P19838 2/20 0.49
RAB9A P51151 2/20 0.49
NFKB2 Q00653 2/20 0.49
RELA Q04206 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47

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
SCHEMBL26546259 0.81 ALOX12 (0.66) ALOX12ALOX15GAAMAPTALDH1A1
SCHEMBL26546203 0.80 KDM4E (0.77) ALOX12ALOX15GAAMAPTALDH1A1
SCHEMBL16646109 0.79 ALOX12 (1.00) ALOX12ALOX15GAAALDH1A1LMNA
SCHEMBL26545834 0.79 GAA (0.71) ALOX12ALOX15GAAMAPTALDH1A1
SCHEMBL26546300 0.78 ALOX12 (0.70) ALOX12ALOX15GAAMAPTALDH1A1
SCHEMBL26546120 0.77 ALOX12 (0.65) ALOX12ALOX15GAAMAPTALDH1A1
SCHEMBL25233068 0.76 ALOX12 (0.72) ALOX12ALOX15GAAMAPTALDH1A1
SCHEMBL27072568 0.75 ALOX12 (0.68) ALOX12ALOX15GAAMAPTALDH1A1
SCHEMBL26546267 0.75 ALOX12 (0.68) ALOX12ALOX15GAAMAPTALDH1A1
SCHEMBL27072709 0.75 ALOX12 (0.68) ALOX12ALOX15GAAMAPTALDH1A1

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