SCHEMBL18569795

SCHEMBL18569795

NN/C=C(\N)Cn1cc(C(=O)O)cn1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.49
PLA2G4A P47712 1/20 0.37
ALKBH2 Q6NS38 2/20 0.36
HPGDS O60760 1/20 0.36
HSD17B10 Q99714 1/20 0.35
KLKB1 P03952 1/20 0.34
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
EGLN1 Q9GZT9 2/20 0.33
ACHE P22303 2/20 0.33
LMNA P02545 1/20 0.33
CFD P00746 1/20 0.32
CYP4F2 P78329 1/20 0.32
CYP4A11 Q02928 1/20 0.32
POLB P06746 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
ALKBH1 Q13686 2/20 0.32
ERCC5 P28715 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
SCHEMBL18569555 0.81 GRM2 (0.40) L3MBTL1HSD17B10KDM4EALDH1A1LMNA
SCHEMBL27806599 0.80 L3MBTL1 (0.56) L3MBTL1PLA2G4AALKBH2HPGDSHSD17B10
SCHEMBL28578166 0.76 L3MBTL1 (0.62) L3MBTL1PLA2G4AALKBH2HPGDSHSD17B10
SCHEMBL28790604 0.74 L3MBTL1 (0.53) L3MBTL1PLA2G4AALKBH2HPGDSHSD17B10
SCHEMBL27806602 0.73 L3MBTL1 (0.59) L3MBTL1PLA2G4AALKBH2HPGDSHSD17B10
SCHEMBL4022892 0.72 L3MBTL1 (0.62) L3MBTL1PLA2G4AALKBH2HPGDSHSD17B10
SCHEMBL31681673 0.71 L3MBTL1 (0.67) L3MBTL1PLA2G4AALKBH2HPGDSHSD17B10
SCHEMBL23907233 0.71 L3MBTL1 (0.49) L3MBTL1PLA2G4AALKBH2HPGDSHSD17B10
SCHEMBL23907231 0.71 L3MBTL1 (0.49) L3MBTL1PLA2G4AALKBH2HPGDSHSD17B10
SCHEMBL29954606 0.70 L3MBTL1 (0.65) L3MBTL1PLA2G4AALKBH2HPGDSHSD17B10

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
EP-2984091-B1 DIHYDROPYRIDO PYRIMIDINE COMPOUNDS AS AUTOTAXIN INHIBITORS LILLY CO ELI (US) 2017-03-01 EP disclosed