SCHEMBL9232004

SCHEMBL9232004

COC(=O)Cn1c(C(=O)C(C)C)nc2c(=O)[nH]c(N)nc21

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PNP P00491 8/20 0.44
HPRT1 P00492 7/20 0.38
TLR7 Q9NYK1 1/20 0.38
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
MAPK1 P28482 1/20 0.37
HBB P68871 1/20 0.37
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
CYP3A4 P08684 1/20 0.36
NFKB1 P19838 1/20 0.36
BLM P54132 1/20 0.36
VCP P55072 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HIF1A Q16665 1/20 0.36

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
SCHEMBL456162 0.89 MAPK1 (0.44) PNPHPRT1KMT2AMEN1MAPK1
SCHEMBL6046932 0.88 PNP (0.42) PNPHPRT1KMT2AMEN1MAPK1
SCHEMBL453174 0.87 PNP (0.49) PNPHPRT1TLR7KMT2AMEN1
SCHEMBL6046944 0.70 KDM4E (0.33) PNPMAPK1ALDH1A1
SCHEMBL23921107 0.68 PNP (0.47) PNPHPRT1MAPK1HBBALDH1A1
SCHEMBL4813936 0.67 PNP (0.70) PNPTLR7KMT2AMEN1ALDH1A1
SCHEMBL21977325 0.67 PNP (0.51) PNPALDH1A1SMN1; SMN2
SCHEMBL23921134 0.67 PNP (0.46) PNPHPRT1KMT2AMEN1MAPK1
SCHEMBL9566544 0.67 PNP (0.71) PNPHPRT1KMT2AMEN1MAPK1
SCHEMBL7200361 0.67 PNP (0.46) PNPHPRT1KMT2AMEN1HBB

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
EP-0672661-A1 Substituted N-ethyl-glycinderivatives for the preparation of PNA and PNA-/DNA hybrides HOECHST AKTIENGESELLSCHAFT (DE) 1995-09-20 EP disclosed