SCHEMBL7656330

SCHEMBL7656330

CN(Cc1cncc(CN(C)CC(O)CO)c1)CC(O)CO

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
TYMP P19971 1/20 0.39
POLB P06746 1/20 0.38
MEN1 O00255 5/20 0.37
KMT2A Q03164 5/20 0.37
DNM1 Q05193 1/20 0.36
S1PR1 P21453 1/20 0.35
AGER Q15109 1/20 0.35
MAPK1 P28482 1/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNA4 P43681 1/20 0.35
LMNA P02545 3/20 0.34
PDCD1 Q15116 1/20 0.34
CD274 Q9NZQ7 1/20 0.34

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
SCHEMBL7661155 0.85 CHRNB2 (0.38) ALDH1A1POLBMEN1KMT2ADNM1
SCHEMBL7659642 0.84 PNP (0.39) ALDH1A1POLBMEN1KMT2ACHRNB2
SCHEMBL7663487 0.82 PNP (0.34) ALDH1A1MAPK1
SCHEMBL7108601 0.79 TYMP (0.39) ALDH1A1TYMPPOLBMEN1KMT2A
SCHEMBL17824014 0.75 DNM1 (0.59) ALDH1A1MEN1KMT2ADNM1AGER
SCHEMBL17823521 0.75 DNM1 (0.59) ALDH1A1MEN1KMT2ADNM1AGER
SCHEMBL7108600 0.75 TYMP (0.41) ALDH1A1TYMPPOLBMEN1KMT2A
SCHEMBL721952 0.75 DNM1 (0.59) ALDH1A1MEN1KMT2ADNM1AGER
SCHEMBL7658936 0.74 KMT2A (0.45) ALDH1A1TYMPPOLBMEN1KMT2A
SCHEMBL7662648 0.74 HSD17B10 (0.41) POLBCHRNB2CHRNA4

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