SCHEMBL7651968

SCHEMBL7651968

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

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.40
ALDH1A1 P00352 4/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.35
HCAR2 Q8TDS4 4/20 0.35
HTT P42858 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
ATM Q13315 1/20 0.33
ROCK2 O75116 1/20 0.32
ROCK1 Q13464 1/20 0.32
POLB P06746 1/20 0.32
LMNA P02545 1/20 0.32
DDO Q99489 1/20 0.32
HSD17B10 Q99714 1/20 0.31
MAPT P10636 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
SCHEMBL7654547 0.80 KMT2A (0.36) KDM4EALDH1A1KMT2AMEN1CYP2C9
SCHEMBL7654556 0.79 KMT2A (0.35) KDM4EALDH1A1KMT2AMEN1CYP2C9
SCHEMBL7108649 0.79 TSPO (0.30) ALDH1A1KMT2AMEN1CYP2C9ROCK2
SCHEMBL7651976 0.78 KMT2A (0.37) KDM4EALDH1A1KMT2AMEN1CYP2C9
SCHEMBL7654546 0.76 KMT2A (0.38) KDM4EALDH1A1KMT2AMEN1CYP2C9
SCHEMBL7659400 0.75 AKR1C3 (0.39) KDM4EALDH1A1KMT2AMEN1CYP2C9
SCHEMBL7103531 0.74 MEN1 (0.33) KDM4EALDH1A1KMT2AMEN1ROCK2
SCHEMBL7655696 0.73 P4HTM (0.40) KDM4EALDH1A1KMT2AL3MBTL1ROCK2
SCHEMBL7662443 0.73 KMT2A (0.36) KDM4EALDH1A1KMT2AMEN1CYP2C9
SCHEMBL7662074 0.73 KMT2A (0.45) KDM4EALDH1A1KMT2AMEN1CYP2C9

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