SCHEMBL7652918

SCHEMBL7652918

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

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.32
MAPT P10636 2/20 0.32
AOC3 Q16853 2/20 0.32
MEN1 O00255 4/20 0.31
ALDH1A1 P00352 3/20 0.31
LMNA P02545 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MAPK1 P28482 1/20 0.30
HTT P42858 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
SCHEMBL7662890 0.85 KMT2A (0.32) KMT2AMAPTAOC3MEN1ALDH1A1
SCHEMBL7105240 0.82
SCHEMBL7662704 0.72 GRIN2D (0.39)
SCHEMBL7660598 0.72 CHRNB2 (0.32) KMT2AMEN1ALDH1A1KDM4E
SCHEMBL7103722 0.72
SCHEMBL7655038 0.71 PDCD1 (0.44) KMT2AMAPTMEN1LMNAKDM4E
SCHEMBL7653615 0.70 PDCD1 (0.40) KMT2AMAPTMEN1ALDH1A1LMNA
SCHEMBL7652140 0.69 PNP (0.39) KMT2AMAPTMEN1ALDH1A1LMNA
SCHEMBL22973717 0.68 PGK1 (0.36)
SCHEMBL31418395 0.67

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