SCHEMBL28811683

SCHEMBL28811683

CCOC(=O)/C(C#N)=C(\NC)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.63
KMT2A Q03164 6/20 0.46
ALDH1A1 P00352 5/20 0.46
LMNA P02545 3/20 0.46
KDM4E B2RXH2 3/20 0.46
ADORA3 P0DMS8 1/20 0.44
MEN1 O00255 4/20 0.43
COMT P21964 1/20 0.43
FTO Q9C0B1 1/20 0.43
GAA P10253 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
MITF O75030 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
KCNJ1 P48048 1/20 0.41
KCNH2 Q12809 1/20 0.41
POLB P06746 2/20 0.41

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
SCHEMBL28811737 0.89 MAPT (0.48) MAPTKMT2AALDH1A1LMNAKDM4E
SCHEMBL26188701 0.85 MAPT (0.62) MAPTKMT2AALDH1A1LMNAKDM4E
SCHEMBL23747775 0.84 MAPT (0.64) MAPTKMT2AALDH1A1LMNAKDM4E
SCHEMBL28811205 0.83 MAPT (0.44) MAPTKMT2AALDH1A1LMNAKDM4E
SCHEMBL28811734 0.82 TDP1 (0.47) MAPTKMT2AALDH1A1LMNAKDM4E
SCHEMBL28812259 0.81 MAPT (0.50) MAPTKMT2AALDH1A1LMNAMEN1
SCHEMBL29015219 0.77 MAPT (0.55) MAPTKMT2AALDH1A1LMNAKDM4E
SCHEMBL29519656 0.77 MAPT (0.55) MAPTKMT2AALDH1A1LMNAKDM4E
SCHEMBL28811233 0.76 TSHR (0.49) MAPTKMT2AALDH1A1LMNAKDM4E
SCHEMBL4478597 0.74 CES1 (0.58) MAPTKMT2AALDH1A1LMNAKDM4E

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-114874109-A Novel alpha-cyano-beta-amino acrylate compound and synthetic method thereof 福建师范大学 2022-08-09 CN disclosed