SCHEMBL7654556

SCHEMBL7654556

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

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
HCAR2 Q8TDS4 1/20 0.31

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
SCHEMBL7651976 0.81 KMT2A (0.37) KMT2AKDM4EMEN1ALDH1A1CYP2C9
SCHEMBL7651968 0.79 KDM4E (0.40) KMT2AKDM4EMEN1ALDH1A1CYP2C9
SCHEMBL7663615 0.78 SIRT6 (0.30)
SCHEMBL7659400 0.78 AKR1C3 (0.39) KMT2AKDM4EMEN1ALDH1A1CYP2C9
SCHEMBL7654022 0.77 P4HTM (0.35) KMT2AKDM4EMEN1ALDH1A1L3MBTL1
SCHEMBL7654547 0.77 KMT2A (0.36) KMT2AKDM4EMEN1ALDH1A1CYP2C9
SCHEMBL7656151 0.74 CASP3 (0.34) KMT2AKDM4EMEN1ALDH1A1CYP2C9
SCHEMBL7663915 0.73 CYP1A2 (0.36) KDM4EALDH1A1L3MBTL1
SCHEMBL7662443 0.71 KMT2A (0.36) KMT2AKDM4EMEN1ALDH1A1CYP2C9
SCHEMBL7654546 0.70 KMT2A (0.38) KMT2AKDM4EMEN1ALDH1A1CYP2C9

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