SCHEMBL29930939

SCHEMBL29930939

NNC(=O)c1cccc(OCc2ccccc2)c1O

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SGMS2 Q8NHU3 4/20 0.58
GAA P10253 3/20 0.58
NPC1 O15118 2/20 0.56
ALDH1A1 P00352 4/20 0.53
MAPT P10636 4/20 0.53
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
KDM4E B2RXH2 1/20 0.52
HTT P42858 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
LMNA P02545 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
STAT3 P40763 1/20 0.52
STAT1 P42224 1/20 0.52
RAB9A P51151 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
CTSD P07339 1/20 0.51
PTGER1 P34995 1/20 0.50

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
SCHEMBL23611714 1.00 SGMS2 (0.58) SGMS2GAANPC1ALDH1A1MAPT
SCHEMBL6748166 0.89 SGMS2 (0.72) SGMS2GAANPC1ALDH1A1MAPT
SCHEMBL23231164 0.87 SGMS2 (0.61) SGMS2GAANPC1ALDH1A1MAPT
SCHEMBL7050350 0.86 PTGER1 (0.61) SGMS2GAANPC1ALDH1A1MAPT
SCHEMBL28731423 0.85 HDAC6 (0.57) SGMS2GAANPC1ALDH1A1MAPT
SCHEMBL5940976 0.84 SGMS2 (0.54) SGMS2GAANPC1ALDH1A1MAPT
SCHEMBL29930977 0.84 SGMS2 (0.54) SGMS2GAANPC1ALDH1A1MAPT
SCHEMBL23611722 0.83 NPC1 (0.68) SGMS2GAANPC1ALDH1A1MAPT
SCHEMBL29930700 0.83 NPC1 (0.68) SGMS2GAANPC1ALDH1A1MAPT
SCHEMBL22568217 0.83 NPC1 (0.56) SGMS2GAANPC1ALDH1A1MAPT

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-115210229-A Polycyclic amides as UBE2K modulators for the treatment of cancer 博格有限责任公司 2022-10-18 CN disclosed