SCHEMBL31090348

SCHEMBL31090348

O=[N+]([O-])c1ccc(C(O)c2nccs2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.52
HTT P42858 1/20 0.52
MAPT P10636 3/20 0.48
NPC1 O15118 3/20 0.48
KDM4E B2RXH2 2/20 0.48
LMNA P02545 2/20 0.48
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
CCR3 P51677 1/20 0.44
ALDH1A1 P00352 3/20 0.44
THRB P10828 1/20 0.42
MGAM O43451 2/20 0.41
SI P14410 2/20 0.41
MGAM2 Q2M2H8 2/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL17032504 0.83 GAA (0.56) GAAHTTMAPTNPC1KDM4E
SCHEMBL17064903 0.83 ALOX5 (0.47) GAAHTTMAPTNPC1LMNA
SCHEMBL17025516 0.78 HTT (0.46) GAAHTTMAPTNPC1KDM4E
SCHEMBL31067641 0.78 PRKDC (0.43) GAAHTTLMNACA1CA14
SCHEMBL17064827 0.78 PRKDC (0.43) GAAHTTLMNACA1CA14
SCHEMBL8003498 0.76 CA1 (0.66) MAPTNPC1KDM4ECA12CA1
SCHEMBL31090349 0.76 ALOX5 (0.41) NPC1KDM4ELMNAALDH1A1RECQL
SCHEMBL5514812 0.76 ALOX5 (0.41) GAANPC1KDM4EALDH1A1MGAM
SCHEMBL6011470 0.76 FFAR2 (0.46) HTTMAPTLMNAMEN1KMT2A
SCHEMBL12064962 0.76 CTSA (0.45) GAAHTTNPC1ALDH1A1MEN1

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
CN-118666923-A Glycoside compound and preparation method thereof 杭州瑞奥生物医药有限公司 2024-09-20 CN disclosed