SCHEMBL9840320

SCHEMBL9840320

Nc1ccn(C2CCCO2)c(=O)n1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.64
MEN1 O00255 2/20 0.64
LMNA P02545 5/20 0.58
ALDH1A1 P00352 3/20 0.58
POLB P06746 3/20 0.58
MAPT P10636 3/20 0.50
PDE3A Q14432 3/20 0.50
CACNA1F O60840 2/20 0.50
ALB P02768 2/20 0.50
CACNA1D Q01668 2/20 0.50
CACNA1S Q13698 2/20 0.50
CACNA1C Q13936 2/20 0.50
GAA P10253 1/20 0.47
THRB P10828 1/20 0.43
MTOR P42345 1/20 0.43
MDM2 Q00987 1/20 0.43
NCOA1 Q15788 1/20 0.43
NCOA3 Q9Y6Q9 1/20 0.43
POLG P54098 2/20 0.42
TP53 P04637 1/20 0.42

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
SCHEMBL31206933 1.00 KMT2A (0.64) KMT2AMEN1LMNAALDH1A1POLB
SCHEMBL31206716 0.98 KMT2A (0.63) KMT2AMEN1LMNAALDH1A1POLB
SCHEMBL31206848 0.98 KMT2A (0.63) KMT2AMEN1LMNAALDH1A1POLB
Calcium SCHEMBL31206833 0.98 KMT2A (0.63) KMT2AMEN1LMNAALDH1A1POLB
Potassium SCHEMBL31206720 0.98 KMT2A (0.63) KMT2AMEN1LMNAALDH1A1POLB
Magnesium SCHEMBL31206864 0.98 KMT2A (0.63) KMT2AMEN1LMNAALDH1A1POLB
SCHEMBL29884375 0.79 LMNA (0.51) KMT2AMEN1LMNAALDH1A1POLB
SCHEMBL27538427 0.79 LMNA (0.50) KMT2AMEN1LMNAALDH1A1POLB
SCHEMBL131642 0.78 LMNA (0.48) KMT2AMEN1LMNAALDH1A1POLB
SCHEMBL7087937 0.76 LMNA (0.50) KMT2AMEN1LMNAALDH1A1POLB

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
US-5075446-A Synthesis of tetrahydro-2-furylated pyrimidine derivatives KOREA ADVANCED INSTITUTE OF SCIENCE & TECHNOLOGY (KR) 1991-12-24 US disclosed