SCHEMBL7658936

SCHEMBL7658936

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

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.45
MEN1 O00255 4/20 0.45
LMNA P02545 2/20 0.45
S1PR1 P21453 1/20 0.39
AGER Q15109 1/20 0.38
MAPT P10636 1/20 0.38
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
DNM1 Q05193 1/20 0.36
TYMP P19971 1/20 0.36
MAPK1 P28482 1/20 0.35
CNR2 P34972 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
SCHEMBL7652140 0.88 PNP (0.39) KMT2AMEN1LMNAAGERMAPT
SCHEMBL7650963 0.87 KMT2A (0.39) KMT2AMEN1LMNAAGERMAPT
SCHEMBL7108600 0.84 TYMP (0.41) KMT2AMEN1LMNAS1PR1AGER
SCHEMBL7660448 0.81 PNP (0.37) KMT2AMEN1LMNAMAPTALDH1A1
SCHEMBL7655038 0.78 PDCD1 (0.44) KMT2AMEN1LMNAS1PR1MAPT
SCHEMBL12892465 0.76 POLB (0.44) KMT2AMEN1S1PR1AGERALDH1A1
SCHEMBL7655922 0.74 TYMP (0.39) KMT2AMEN1S1PR1AGERPOLB
SCHEMBL7108601 0.74 TYMP (0.39) KMT2AMEN1S1PR1AGERALDH1A1
SCHEMBL7656330 0.74 ALDH1A1 (0.40) KMT2AMEN1LMNAS1PR1AGER
SCHEMBL17823521 0.74 DNM1 (0.59) KMT2AMEN1LMNAAGERALDH1A1

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