SCHEMBL28812259

SCHEMBL28812259

CCN/C(=C(/C#N)C(=O)OC)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.50
POLB P06746 3/20 0.45
ALDH1A1 P00352 3/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
RAB9A P51151 2/20 0.42
MAPK1 P28482 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 1/20 0.42
MITF O75030 1/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
FTO Q9C0B1 1/20 0.42
DHODH Q02127 1/20 0.41
TSHR P16473 1/20 0.41
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 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
SCHEMBL28811202 0.87 MAPT (0.49) MAPTPOLBALDH1A1RAB9AMAPK1
SCHEMBL28811737 0.87 MAPT (0.48) MAPTPOLBALDH1A1MEN1KMT2A
SCHEMBL28811233 0.82 TSHR (0.49) MAPTPOLBALDH1A1MEN1KMT2A
SCHEMBL28811683 0.81 MAPT (0.63) MAPTPOLBALDH1A1MEN1KMT2A
SCHEMBL28811205 0.77 MAPT (0.44) MAPTPOLBALDH1A1MEN1KMT2A
SCHEMBL28811734 0.75 TDP1 (0.47) MAPTPOLBALDH1A1MEN1KMT2A
SCHEMBL26188701 0.73 MAPT (0.62) MAPTALDH1A1MEN1KMT2AMAPK1
SCHEMBL4960436 0.73 MAPT (0.53) MAPTPOLBALDH1A1MEN1KMT2A
SCHEMBL23747775 0.72 MAPT (0.64) MAPTALDH1A1MEN1KMT2AMAPK1
SCHEMBL3955088 0.72 MAPT (0.62) MAPTPOLBALDH1A1MEN1KMT2A

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