SCHEMBL30401465

SCHEMBL30401465

Cc1nc(N2CCOCC2)c(C(=O)O)cc1C#N

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.65
KDM4E B2RXH2 6/20 0.53
KMT2A Q03164 5/20 0.53
MEN1 O00255 3/20 0.53
MAPK1 P28482 1/20 0.53
RXFP1 Q9HBX9 3/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
XDH P47989 1/20 0.50
HPGD P15428 3/20 0.47
KHK P50053 1/20 0.47
POLB P06746 1/20 0.46
PKM P14618 1/20 0.44
CLK1 P49759 1/20 0.43
GAA P10253 1/20 0.43
CASP1 P29466 1/20 0.43
CASP7 P55210 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL18394557 1.00 ALDH1A1 (0.65) ALDH1A1KDM4EKMT2AMEN1MAPK1
SCHEMBL18412784 0.90 ALDH1A1 (0.65) ALDH1A1KDM4EKMT2AMEN1MAPK1
SCHEMBL11483862 0.87 ALDH1A1 (0.68) ALDH1A1KDM4EKMT2AMEN1MAPK1
SCHEMBL20098295 0.84 ALDH1A1 (0.67) ALDH1A1KDM4EKMT2AMEN1MAPK1
SCHEMBL9490371 0.82 ALDH1A1 (0.79) ALDH1A1KDM4EKMT2AMEN1MAPK1
SCHEMBL21905912 0.79 SCN10A (0.60) ALDH1A1KDM4EKMT2AMEN1MAPK1
SCHEMBL30927483 0.79 SCN10A (0.60) ALDH1A1KDM4EKMT2AMEN1MAPK1
SCHEMBL21561035 0.75 ALDH1A1 (0.63) ALDH1A1KDM4EKMT2AMEN1MAPK1
SCHEMBL18394998 0.75 ALDH1A1 (0.45) ALDH1A1KDM4EKMT2AMEN1RXFP1
SCHEMBL22717583 0.74 PPARG (0.45) ALDH1A1KDM4EKMT2AMEN1L3MBTL1

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-111386118-B Combination pharmaceutical agents as RSV inhibitors 英安塔制药有限公司 2023-05-09 CN disclosed