SCHEMBL6275232

SCHEMBL6275232

Cc1ccc(C(=O)N2CCCC2C(=O)O)cn1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.60
L3MBTL1 Q9Y468 2/20 0.57
CA2 P00918 1/20 0.55
NPSR1 Q6W5P4 1/20 0.54
CNR1 P21554 1/20 0.52
CNR2 P34972 1/20 0.52
LMNA P02545 1/20 0.51
TDP1 Q9NUW8 1/20 0.50
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ITGB3 P05106 1/20 0.45
ITGB1 P05556 1/20 0.45
ITGAV P06756 1/20 0.45
ITGA5 P08648 1/20 0.45
ITGA4 P13612 1/20 0.45

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
SCHEMBL5909277 1.00 ALDH1A1 (0.60) ALDH1A1L3MBTL1CA2NPSR1CNR1
SCHEMBL5909307 0.84 VNN1 (0.52) ALDH1A1CNR1CNR2
SCHEMBL5909193 0.84 VNN1 (0.52) ALDH1A1CNR1CNR2
SCHEMBL6203421 0.84 VNN1 (0.52) ALDH1A1CNR1CNR2
SCHEMBL5909232 0.84 ALDH1A1 (0.48) ALDH1A1L3MBTL1CNR1CNR2LMNA
SCHEMBL5909226 0.83 GAA (0.63) ALDH1A1CA2CNR1CNR2LMNA
SCHEMBL5909293 0.83 GAA (0.63) ALDH1A1CA2CNR1CNR2LMNA
SCHEMBL5909188 0.83 GAA (0.63) ALDH1A1CA2CNR1CNR2LMNA
SCHEMBL6787910 0.82 CA2 (0.75) ALDH1A1L3MBTL1CA2NPSR1TDP1
SCHEMBL5537767 0.82 CA2 (0.75) ALDH1A1L3MBTL1CA2NPSR1TDP1

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-1494672-A1 AMINOCARBONYL SUBSTITUTED PYRIDINES, PYRIDAZINES, PYRIMIDINES, PYRAZINES AND TRIAZINES HAVING ANTIANGIOGENIC ACTIVITY Abbott Laboratories (US) 2005-01-12 EP disclosed
WO-2003086398-A1 AMINOCARBONYL SUBSTITUTED PYRIDINES, PYRIDAZINES, PYRIMIDINES, PYRAZINES AND TRIAZINES HAVING ANTIANGIOGENIC ACTIVITY ABBOTT LABORATORIES (US) 2003-10-23 WO disclosed