SCHEMBL7658923

SCHEMBL7658923

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.53
PDE5A O76074 1/20 0.47
POLB P06746 2/20 0.47
LMNA P02545 3/20 0.45
P2RX7 Q99572 2/20 0.45
KDM4E B2RXH2 4/20 0.43
TDP1 Q9NUW8 3/20 0.43
ALOX15 P16050 2/20 0.43
TSHR P16473 2/20 0.43
ACMSD Q8TDX5 1/20 0.43
PTGS1 P23219 1/20 0.42
PTGS2 P35354 1/20 0.42
GAA P10253 2/20 0.40
NPC1 O15118 2/20 0.40
ALDH1A1 P00352 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL7656385 0.81 KMT2A (0.56) CNR2POLBLMNAP2RX7KDM4E
SCHEMBL7108736 0.81 CNR2 (0.38) CNR2PDE5AKDM4EL3MBTL1KMT2A
SCHEMBL18157899 0.76 POLB (0.50) CNR2POLBLMNAP2RX7KDM4E
SCHEMBL20283772 0.76 P2RX7 (0.51) POLBLMNAP2RX7KDM4ETDP1
SCHEMBL7107999 0.76 CNR2 (0.44) CNR2PDE5AKDM4EL3MBTL1KMT2A
SCHEMBL7105213 0.75 CNR2 (0.39) CNR2PDE5APOLBKDM4ESMN1; SMN2
SCHEMBL1142172 0.73 P2RX7 (0.74) POLBLMNAP2RX7KDM4ETDP1
SCHEMBL11253022 0.73 KDM4E (0.50) POLBLMNAKDM4EGAANPC1
SCHEMBL7654754 0.72 LMNA (0.66) POLBLMNAP2RX7KDM4ETDP1
SCHEMBL16475559 0.72 POLB (0.55) POLBLMNAKDM4ETDP1ALOX15

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