SCHEMBL26545899

SCHEMBL26545899

Nc1ccccc1CNc1ccc(SNc2nccs2)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ILK Q13418 1/20 0.44
GAA P10253 4/20 0.41
ALDH1A1 P00352 3/20 0.41
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALOX12 P18054 6/20 0.41
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.39
EGFR P00533 1/20 0.38
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
SYK P43405 1/20 0.36
PKM P14618 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KDM4E B2RXH2 1/20 0.36
POLB P06746 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
SCHEMBL26545845 0.86 MAPT (0.47) GAAALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL26545970 0.81 ALOX12 (0.51) ILKGAAALDH1A1ALOX12LMNA
SCHEMBL26546076 0.80 PKM (0.49) ILKGAAALDH1A1RAB9ANPC1
SCHEMBL26545988 0.80 ALOX12 (0.65) ILKGAAALDH1A1RAB9ANPC1
SCHEMBL26545984 0.80 ALOX12 (0.65) GAAALDH1A1ALOX12LMNAMAPK1
SCHEMBL26545834 0.77 GAA (0.71) GAAALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL16646115 0.77 ALOX12 (0.67) GAAALDH1A1SMN1; SMN2ALOX12LMNA
SCHEMBL26546062 0.75 ALOX12 (0.54) ALDH1A1SMN1; SMN2ALOX12EGFRPKM
SCHEMBL19346212 0.74 FBP1 (0.51) ILKGAAALDH1A1RAB9ANPC1
SCHEMBL26546033 0.73 ALOX12 (0.67) GAAALDH1A1RAB9ANPC1SMN1; SMN2

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