SCHEMBL27424847

SCHEMBL27424847

COC(=O)/C(C#N)=C\c1ccc(OCC(O)Cn2c(=O)n(CC(O)COc3ccc(/C=C(/C#N)C(=O)OC)cc3)c(=O)n(CC(O)COc3ccc(/C=C(\C#N)C(=O)OC)cc3)c2=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.47
ALDH1A1 P00352 9/20 0.47
MAPT P10636 4/20 0.47
KMT2A Q03164 3/20 0.47
TDP1 Q9NUW8 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MEN1 O00255 2/20 0.42
LMNA P02545 2/20 0.42
HPGD P15428 4/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
GAA P10253 2/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 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
SCHEMBL27424876 0.88 KDM4E (0.47) KDM4EALDH1A1MAPTHPGDGAA
SCHEMBL27424555 0.84 KDM4E (0.56) KDM4EALDH1A1MAPTKMT2ATDP1
SCHEMBL24710438 0.83 KDM4E (0.46) KDM4EALDH1A1MAPTKMT2AL3MBTL1
SCHEMBL10694794 0.78 KDM4E (0.59) KDM4EALDH1A1MAPTKMT2ATDP1
SCHEMBL10694789 0.78 KDM4E (0.59) KDM4EALDH1A1MAPTKMT2ATDP1
SCHEMBL21457151 0.77 ALDH1A1 (0.58) KDM4EALDH1A1MAPTKMT2ATDP1
SCHEMBL21457153 0.77 ALDH1A1 (0.58) KDM4EALDH1A1MAPTKMT2ATDP1
SCHEMBL10694876 0.77 ALDH1A1 (0.58) KDM4EALDH1A1MAPTKMT2ATDP1
SCHEMBL10693214 0.77 ALDH1A1 (0.62) KDM4EALDH1A1MAPTKMT2ATDP1
SCHEMBL27424809 0.77 MAPT (0.43) KDM4EALDH1A1MAPTKMT2AL3MBTL1

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
US-20240219834-A1 METHOD FOR FORMING A RESIST PATTERN NISSAN CHEMICAL CORPORATION (JP) 2024-07-04 US disclosed