SCHEMBL7656633

SCHEMBL7656633

CC(CO)(CO)NC(=O)c1cncc(C(=O)NC(C)(CO)CO)c1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.45
DGAT2 Q96PD7 3/20 0.43
KDM4E B2RXH2 4/20 0.42
PTGS2 P35354 5/20 0.40
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
CYP2C19 P33261 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
PTGS1 P23219 4/20 0.38
ATM Q13315 1/20 0.37
CNR2 P34972 2/20 0.37
ALDH1A1 P00352 1/20 0.37
HSD17B10 Q99714 1/20 0.37
PKM P14618 1/20 0.37
CYP2C9 P11712 1/20 0.37

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
SCHEMBL7660743 0.81 KDM4E (0.47) KMT2AKDM4EPTGS2POLBGAA
SCHEMBL7103507 0.79 KMT2A (0.53) KMT2ADGAT2KDM4ECNR2
SCHEMBL7575404 0.74 POLB (0.61) KMT2APOLBGAACYP2C19CYP3A4
SCHEMBL7103670 0.74 KMT2A (0.55) KMT2AKDM4ECNR2
SCHEMBL7652101 0.73 KMT2A (0.55) KMT2AKDM4EPOLBCNR2ALDH1A1
SCHEMBL12301905 0.73 ALDH1A1 (0.53) KMT2APOLBGAAALDH1A1
SCHEMBL8018921 0.72 LMNA (0.49) KMT2AKDM4EPTGS2POLBGAA
SCHEMBL2735676 0.71 HCAR2 (0.56) ATM
SCHEMBL19877014 0.71 NPC1 (0.46) DGAT2POLBATMCNR2CYP2C9
SCHEMBL5909197 0.71 THRB (0.61) KDM4EPTGS2POLBGAAPTGS1

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