SCHEMBL7654546

SCHEMBL7654546

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

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 2/20 0.38
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
TACR1 P25103 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
HCAR2 Q8TDS4 1/20 0.33
CCNE1 P24864 1/20 0.32
CDK2 P24941 1/20 0.32
GSK3B P49841 1/20 0.32
ITK Q08881 1/20 0.32
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CASP3 P42574 2/20 0.31
CYP11B2 P19099 1/20 0.31
ATM Q13315 1/20 0.31
AKR1C3 P42330 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
SCHEMBL7659400 0.85 AKR1C3 (0.39) KMT2AMEN1KDM4EALDH1A1CYP2C9
SCHEMBL7662443 0.84 KMT2A (0.36) KMT2AMEN1KDM4EALDH1A1CYP2C9
SCHEMBL7658552 0.83 CASP3 (0.34) KMT2AMEN1KDM4EALDH1A1CYP2C9
SCHEMBL7104663 0.80 CNR1 (0.32)
SCHEMBL7662074 0.77 KMT2A (0.45) KMT2AMEN1KDM4EALDH1A1CYP2C9
SCHEMBL7106680 0.76 MEN1 (0.36) KMT2AMEN1
SCHEMBL7651968 0.76 KDM4E (0.40) KMT2AMEN1KDM4EALDH1A1CYP2C9
SCHEMBL7655871 0.75 P4HTM (0.38) KMT2AKDM4EALDH1A1TACR1L3MBTL1
SCHEMBL7656151 0.71 CASP3 (0.34) KMT2AMEN1KDM4EALDH1A1CYP2C9
SCHEMBL7654547 0.71 KMT2A (0.36) KMT2AMEN1KDM4EALDH1A1CYP2C9

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