SCHEMBL28522840

SCHEMBL28522840

C=C(C(=O)O)C(C(=O)O)(c1ccccn1)c1ccccn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
P4HTM Q9NXG6 2/20 0.40
LMNA P02545 1/20 0.40
NAPRT Q6XQN6 1/20 0.40
PTGS2 P35354 1/20 0.37
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37
KMT2A Q03164 2/20 0.37
ALDH1A1 P00352 2/20 0.35
BLM P54132 2/20 0.35
CYP2D6 P10635 1/20 0.35
SLC22A2 O15244 1/20 0.35
SLC22A1 O15245 1/20 0.35
PGR P06401 1/20 0.35
THRB P10828 1/20 0.35
ADRB3 P13945 1/20 0.35
OPRK1 P41145 1/20 0.35
PMP22 Q01453 1/20 0.35
KCNH2 Q12809 1/20 0.35

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
SCHEMBL20412355 0.85 SMN1; SMN2 (0.56) SMN1; SMN2L3MBTL1P4HTMLMNANAPRT
SCHEMBL9358927 0.74 CYP1A2 (0.45) CES1KMT2AALDH1A1CYP2D6TSHR
SCHEMBL30572336 0.72 L3MBTL1 (0.54) SMN1; SMN2L3MBTL1P4HTMLMNANAPRT
SCHEMBL1123589 0.72 L3MBTL1 (0.54) SMN1; SMN2L3MBTL1P4HTMLMNANAPRT
SCHEMBL5074249 0.71 L3MBTL1 (0.52) SMN1; SMN2L3MBTL1P4HTMLMNANAPRT
SCHEMBL1839761 0.71 L3MBTL1 (0.52) SMN1; SMN2L3MBTL1P4HTMLMNANAPRT
SCHEMBL1773218 0.71 L3MBTL1 (0.52) SMN1; SMN2L3MBTL1P4HTMLMNANAPRT
SCHEMBL505194 0.71 L3MBTL1 (0.52) SMN1; SMN2L3MBTL1P4HTMLMNANAPRT
SCHEMBL29788112 0.71 L3MBTL1 (0.52) SMN1; SMN2L3MBTL1P4HTMLMNANAPRT
SCHEMBL1827357 0.69 L3MBTL1 (0.55) SMN1; SMN2L3MBTL1P4HTMLMNANAPRT

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
CN-108558742-B Zinc (II) fluorescent material based on 4, 4' -bipyridyl-itaconic acid derivative ligand and preparation method thereof 商丘师范学院 2021-05-04 CN claimed
CN-108727251-B Magnetic cobalt (II) complex based on 4, 4' -bipyridyl-itaconic acid derivative ligand and preparation method thereof 商丘师范学院 2021-03-02 CN claimed
CN-108558742-B Zinc (II) fluorescent material based on 4, 4' -bipyridyl-itaconic acid derivative ligand and preparation method thereof 商丘师范学院 2021-05-04 CN disclosed
CN-108727251-B Magnetic cobalt (II) complex based on 4, 4' -bipyridyl-itaconic acid derivative ligand and preparation method thereof 商丘师范学院 2021-03-02 CN disclosed