SCHEMBL28056817

SCHEMBL28056817

Cc1ccccc1N1C(=O)C=CC1=O.NCc1ccccc1N1C(=O)C=CC1=O

nearest known ligand 0.71

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 9/20 0.71
TLR9 Q9NR96 1/20 0.50
PTGS1 P23219 1/20 0.47
PTGS2 P35354 1/20 0.47
ELANE P08246 1/20 0.45
MEN1 O00255 2/20 0.44
MAPT P10636 2/20 0.44
KMT2A Q03164 2/20 0.44
FAAH O00519 1/20 0.44
TSHR P16473 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
P2RX7 Q99572 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38

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
SCHEMBL27450554 0.90 MGLL (0.71) MGLLTLR9PTGS1PTGS2FAAH
SCHEMBL29366282 0.84 MGLL (1.00) MGLLTLR9ELANEMEN1MAPT
SCHEMBL137793 0.84 MGLL (1.00) MGLLTLR9ELANEMEN1MAPT
SCHEMBL27593902 0.84 MGLL (0.64) MGLLTLR9PTGS1PTGS2MEN1
Ethane SCHEMBL8584291 0.82 MGLL (0.96) MGLLTLR9ELANEMEN1MAPT
SCHEMBL27593910 0.80 MGLL (0.63) MGLLTLR9PTGS1PTGS2MEN1
SCHEMBL1535499 0.79 MGLL (1.00) MGLLTLR9PTGS1PTGS2MEN1
SCHEMBL29510771 0.79 MGLL (1.00) MGLLTLR9PTGS1PTGS2MEN1
SCHEMBL5439974 0.76 MGLL (0.81) MGLLTLR9ELANEMEN1MAPT
SCHEMBL8352899 0.75 MGLL (0.77) MGLLTLR9PTGS1PTGS2FAAH

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105742639-A Battery electrode paste composition 财团法人工业技术研究院 2016-07-06 CN disclosed