SCHEMBL7652140

SCHEMBL7652140

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

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PNP P00491 1/20 0.39
KMT2A Q03164 4/20 0.39
LMNA P02545 3/20 0.39
MEN1 O00255 3/20 0.39
MAPT P10636 1/20 0.36
CHRNB2 P17787 1/20 0.33
CHRNA4 P43681 1/20 0.33
CNR2 P34972 1/20 0.33
KCNJ1 P48048 2/20 0.33
ALDH1A1 P00352 2/20 0.33
HDAC1 Q13547 1/20 0.32
PDCD1 Q15116 1/20 0.32
CD274 Q9NZQ7 1/20 0.32
AGER Q15109 1/20 0.32

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
SCHEMBL7658936 0.88 KMT2A (0.45) KMT2ALMNAMEN1MAPTCNR2
SCHEMBL7650963 0.86 KMT2A (0.39) KMT2ALMNAMEN1MAPTCHRNB2
SCHEMBL7103584 0.83 PNP (0.44) PNP
SCHEMBL7659401 0.82 MAPT (0.30) MAPT
SCHEMBL7655038 0.80 PDCD1 (0.44) KMT2ALMNAMEN1MAPTCHRNB2
SCHEMBL7653615 0.75 PDCD1 (0.40) PNPKMT2ALMNAMEN1MAPT
SCHEMBL7106657 0.75 PNP (0.39) PNP
SCHEMBL7660955 0.75 PNP (0.39) PNPCNR2
SCHEMBL7659642 0.75 PNP (0.39) PNPKMT2AMEN1CHRNB2CHRNA4
SCHEMBL14873858 0.71 KMT2A (0.53) KMT2ALMNAMEN1MAPTALDH1A1

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