SCHEMBL7651976

SCHEMBL7651976

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

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 1/20 0.37
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ATM Q13315 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
SCHEMBL7654556 0.81 KMT2A (0.35) KMT2AKDM4EALDH1A1MEN1CYP2C9
SCHEMBL7663607 0.81
SCHEMBL7651968 0.78 KDM4E (0.40) KMT2AKDM4EALDH1A1MEN1CYP2C9
SCHEMBL7654697 0.77 MEN1 (0.31) KMT2AMEN1CYP2C19
SCHEMBL7654547 0.76 KMT2A (0.36) KMT2AKDM4EALDH1A1MEN1CYP2C9
SCHEMBL7655707 0.76 P4HTM (0.37) KMT2AKDM4EALDH1A1MEN1CYP2C19
SCHEMBL7662074 0.73 KMT2A (0.45) KMT2AKDM4EALDH1A1MEN1CYP2C9
SCHEMBL7661229 0.71 CYP1A2 (0.38) KDM4EALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL7659400 0.71 AKR1C3 (0.39) KMT2AKDM4EALDH1A1MEN1CYP2C9
SCHEMBL7662443 0.70 KMT2A (0.36) KMT2AKDM4EALDH1A1MEN1CYP2C9

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