SCHEMBL7654585

SCHEMBL7654585

CN(Cc1ccc(CN(C)C(CO)C(O)CO)nc1)C(CO)C(O)CO

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PNP P00491 1/20 0.41
KMT2A Q03164 2/20 0.32
MAPT P10636 1/20 0.32
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
PDCD1 Q15116 1/20 0.30
CD274 Q9NZQ7 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
SCHEMBL7109158 0.84 PNP (0.46) PNP
SCHEMBL7653615 0.81 PDCD1 (0.40) PNPKMT2AMAPTMEN1LMNA
SCHEMBL7650963 0.77 KMT2A (0.39) KMT2AMAPTMEN1LMNA
SCHEMBL7106669 0.75 PNP (0.41) PNP
SCHEMBL7654642 0.75 PNP (0.41) PNP
SCHEMBL7651975 0.75 PNP (0.41) PNP
SCHEMBL7658936 0.72 KMT2A (0.45) KMT2AMAPTMEN1LMNA
SCHEMBL7652140 0.71 PNP (0.39) PNPKMT2AMAPTMEN1LMNA
SCHEMBL7661935 0.68 ESR1 (0.30)
SCHEMBL7660448 0.68 PNP (0.37) PNPKMT2AMAPTMEN1LMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6399613-B1 N,N'-BIS(2-HYDROXYETHYL)PYRAZINE-2,5- OR -2,6-DICARBOXAMIDE; DIABETES AVENTIS PHARMA S.A. (FR) 2002-06-04 US claimed
US-6399613-B1 N,N'-BIS(2-HYDROXYETHYL)PYRAZINE-2,5- OR -2,6-DICARBOXAMIDE; DIABETES AVENTIS PHARMA S.A. (FR) 2002-06-04 US disclosed