SCHEMBL7656385

SCHEMBL7656385

CC(CO)(CO)NC(=O)c1cccc(C(=O)NC(C)(CO)CO)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.56
P2RX7 Q99572 2/20 0.46
CNR2 P34972 3/20 0.45
POLB P06746 2/20 0.44
LMNA P02545 3/20 0.42
KDM4E B2RXH2 4/20 0.41
TDP1 Q9NUW8 3/20 0.41
GAA P10253 2/20 0.41
NPC1 O15118 2/20 0.41
ALDH1A1 P00352 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
RECQL P46063 1/20 0.41
MCL1 Q07820 1/20 0.41
ALOX15 P16050 2/20 0.41
TSHR P16473 2/20 0.41

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
SCHEMBL7103507 0.82 KMT2A (0.53) KMT2ACNR2KDM4E
SCHEMBL7658923 0.81 CNR2 (0.53) KMT2AP2RX7CNR2POLBLMNA
SCHEMBL18157899 0.81 POLB (0.50) KMT2AP2RX7CNR2POLBLMNA
SCHEMBL7103670 0.78 KMT2A (0.55) KMT2ACNR2KDM4E
SCHEMBL6415338 0.76 CNR2 (0.51) KMT2ACNR2NPC1RAB9A
SCHEMBL14244009 0.76 CNR2 (0.47) KMT2AP2RX7CNR2
SCHEMBL14244091 0.76 ALDH1A1 (0.51) KMT2ACNR2ALDH1A1
SCHEMBL7575404 0.74 POLB (0.61) KMT2APOLBLMNAGAANPC1
SCHEMBL7652101 0.73 KMT2A (0.55) KMT2ACNR2POLBLMNAKDM4E
SCHEMBL20283772 0.73 P2RX7 (0.51) KMT2AP2RX7POLBLMNAKDM4E

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 4 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
EP-1001944-A1 PYRAZINE DERIVATIVES, PREPARATION AND MEDICINES CONTAINING THEM Aventis Pharma S.A. (FR) 2000-05-24 EP disclosed
WO-1999003844-A1 PYRAZINE DERIVATIVES, PREPARATION AND MEDICINES CONTAINING THEM RHONE-POULENC RORER S.A. (FR) 1999-01-28 WO disclosed