SCHEMBL28664498

SCHEMBL28664498

CN1CCN(c2ccc(B3OC(C)(C)C(C)(C)O3)cc2[N+](=O)[O-])CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.50
LMNA P02545 3/20 0.50
MAPT P10636 5/20 0.49
MAPK1 P28482 3/20 0.49
GAA P10253 2/20 0.48
PKM P14618 1/20 0.47
ALDH1A1 P00352 4/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
GFER P55789 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
HTT P42858 2/20 0.45
TP53 P04637 1/20 0.44
TSHR P16473 1/20 0.44
HIF1A Q16665 1/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44

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
SCHEMBL23850805 0.89 GAA (0.63) SMN1; SMN2LMNAMAPTMAPK1GAA
SCHEMBL23926498 0.88 MAPT (0.55) SMN1; SMN2LMNAMAPTMAPK1GAA
SCHEMBL32933259 0.88 MAPT (0.55) SMN1; SMN2LMNAMAPTMAPK1GAA
SCHEMBL28651411 0.87 MAPT (0.49) SMN1; SMN2LMNAMAPTMAPK1GAA
SCHEMBL13778132 0.82 MAPT (0.53) LMNAMAPTMAPK1GAAALDH1A1
SCHEMBL3313887 0.80 GAA (0.72) SMN1; SMN2LMNAMAPTMAPK1GAA
SCHEMBL29554269 0.79 MAPT (0.40) MAPTMAPK1GAAALDH1A1GFER
SCHEMBL31485111 0.79 KDM4E (0.50) SMN1; SMN2MAPTMAPK1GAAALDH1A1
SCHEMBL1934039 0.79 MAPT (0.40) MAPTMAPK1GAAALDH1A1GFER
SCHEMBL15286142 0.79 POLB (0.53) SMN1; SMN2LMNAMAPTALDH1A1L3MBTL1

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-108864081-B FGFR4 inhibitor and preparation and application thereof 南京圣和药业股份有限公司 2021-11-23 CN disclosed