SCHEMBL7654547

SCHEMBL7654547

CN(C(=O)c1cncc(C(=O)N(C)C(CO)C(O)CO)c1)C(CO)C(O)CO

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.36
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 2/20 0.36
ALDH1A1 P00352 2/20 0.36
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PNP P00491 1/20 0.32
LMNA P02545 1/20 0.32
DDO Q99489 1/20 0.32
HCAR2 Q8TDS4 1/20 0.32
HTT P42858 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
OPRM1 P35372 1/20 0.30
OPRD1 P41143 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
SCHEMBL7654086 0.81 PNP (0.32) PNP
SCHEMBL7651968 0.80 KDM4E (0.40) KMT2AKDM4EMEN1ALDH1A1CYP2C9
SCHEMBL7662443 0.78 KMT2A (0.36) KMT2AKDM4EMEN1ALDH1A1CYP2C9
SCHEMBL7104707 0.78 PNP (0.36) KMT2AMEN1PNP
SCHEMBL7654556 0.77 KMT2A (0.35) KMT2AKDM4EMEN1ALDH1A1CYP2C9
SCHEMBL7654010 0.77 PNP (0.37) KMT2AKDM4EALDH1A1L3MBTL1PNP
SCHEMBL7110077 0.77 PNP (0.32) PNP
SCHEMBL7651976 0.76 KMT2A (0.37) KMT2AKDM4EMEN1ALDH1A1CYP2C9
SCHEMBL7659400 0.73 AKR1C3 (0.39) KMT2AKDM4EMEN1ALDH1A1CYP2C9
SCHEMBL7663905 0.72 CYP1A2 (0.37) KMT2AKDM4EMEN1ALDH1A1L3MBTL1

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