SCHEMBL30867005

SCHEMBL30867005

N#C[C@@]1(n2ccc(-n3cncn3)nc2=O)CC[C@H](COC(=O)c2ccccc2)O1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.32
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C19 P33261 1/20 0.31
KMT2A Q03164 1/20 0.31
ABL1 P00519 1/20 0.31
RIN1 Q13671 1/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNA5 P30532 1/20 0.31
CHRNA7 P36544 1/20 0.31
CHRNA4 P43681 1/20 0.31
IRAK4 Q9NWZ3 1/20 0.31
POLB P06746 2/20 0.30
GAA P10253 1/20 0.30
MAPK1 P28482 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
PPM1B O75688 1/20 0.30

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
SCHEMBL27086440 0.78 MAPT (0.45) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL30867007 0.76 POLB (0.38) NPC1ALDH1A1MEN1CYP1A2CYP2C19
SCHEMBL30002000 0.75 MAPT (0.41) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL30867003 0.69 FGFR1 (0.31)
SCHEMBL10459827 0.69 POLB (0.54) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL6760519 0.69 POLB (0.54) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL6760520 0.69 POLB (0.54) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL30867015 0.67 NPC1 (0.43) NPC1ALDH1A1MEN1CYP1A2CYP2C19
SCHEMBL28540049 0.65 NPC1 (0.37) NPC1ALDH1A1MEN1CYP1A2CYP2C19
SCHEMBL9548767 0.65 MAPT (0.31) MAPT

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-117858711-A Nucleoside and nucleotide analogs as antiviral agents 爱莫里大学 2024-04-09 CN disclosed