SCHEMBL6586308

SCHEMBL6586308

COc1c(Cl)cc(Cl)cc1N/C(=C\C(=O)O)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACLY P53396 3/20 0.40
KMT2A Q03164 5/20 0.38
MEN1 O00255 4/20 0.38
ALDH1A1 P00352 3/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
KDM4E B2RXH2 4/20 0.37
MAPT P10636 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TPMT P51580 1/20 0.37
GAA P10253 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
GPR35 Q9HC97 1/20 0.37
TAS1R3 Q7RTX0 3/20 0.36
TAS1R1 Q7RTX1 3/20 0.36
TAS1R2 Q8TE23 3/20 0.36

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
SCHEMBL6586310 1.00 ACLY (0.40) ACLYKMT2AMEN1ALDH1A1LMNA
SCHEMBL6587878 0.79 LMNA (0.49) ACLYKMT2AMEN1ALDH1A1LMNA
SCHEMBL6587872 0.79 LMNA (0.49) ACLYKMT2AMEN1ALDH1A1LMNA
SCHEMBL10873618 0.75 EGFR (0.51) ALDH1A1HPGDHTTKDM4EL3MBTL1
SCHEMBL11643310 0.75 SMN1; SMN2 (0.41) KMT2AMEN1ALDH1A1LMNAHPGD
SCHEMBL10873613 0.75 EGFR (0.51) ALDH1A1HPGDHTTKDM4EL3MBTL1
SCHEMBL6080333 0.74 LMNA (0.52) ACLYKMT2AMEN1ALDH1A1LMNA
SCHEMBL10876160 0.71 MEN1 (0.49) KMT2AMEN1ALDH1A1MAPTL3MBTL1
SCHEMBL10876148 0.71 MEN1 (0.49) KMT2AMEN1ALDH1A1MAPTL3MBTL1
SCHEMBL10876517 0.70 MAPK1 (0.55) KMT2AMEN1ALDH1A1KDM4EMAPT

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
EP-1451159-A1 COMPOSITIONS DERIVED FROM QUINOLINE AND QUINOXALINE, PREPARATION AND USE THEREOF NEURO3D (FR) 2004-09-01 EP disclosed
WO-2003010146-A1 COMPOSITIONS DERIVED FROM QUINOLINE AND QUINOXALINE, PREPARATION AND USE THEREOF NEURO3D (FR) 2003-02-06 WO disclosed