SCHEMBL5784530

SCHEMBL5784530

NC(C=O)c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.54
GAA P10253 1/20 0.54
MAPT P10636 1/20 0.54
MAOA P21397 1/20 0.54
RAB9A P51151 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
LMNA P02545 1/20 0.51
CYP1A2 P05177 1/20 0.51
PTGS1 P23219 1/20 0.51
SLC6A2 P23975 1/20 0.51
CYP2C19 P33261 1/20 0.51
PTGS2 P35354 1/20 0.51
SLC6A3 Q01959 1/20 0.51
HIF1A Q16665 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
BCHE P06276 1/20 0.51
PARP10 Q53GL7 1/20 0.51
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51

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
SCHEMBL7434755 0.86 LTA4H (0.61) MAOBGAAMAPTMAOARAB9A
SCHEMBL14279482 0.86 LTA4H (0.61) MAOBGAAMAPTMAOARAB9A
SCHEMBL7426754 0.86 LTA4H (0.61) MAOBGAAMAPTMAOARAB9A
SCHEMBL9464819 0.84 MAOB (0.54) MAOBGAAMAPTMAOARAB9A
SCHEMBL8505924 0.82 LMNA (0.53) MAOBGAAMAPTMAOARAB9A
SCHEMBL8505922 0.82 LMNA (0.53) MAOBGAAMAPTMAOARAB9A
SCHEMBL2844054 0.82 LMNA (0.53) MAOBGAAMAPTMAOARAB9A
SCHEMBL41221 0.81 LMNA (0.51) MAOBGAAMAPTMAOARAB9A
SCHEMBL6188338 0.81 ALOX5 (0.55) MAOBLMNACYP1A2PTGS1SLC6A2
SCHEMBL11838902 0.80 MAOB (0.61) MAOBGAAMAPTMAOARAB9A

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-1677783-A2 FIBRINOGEN RECEPTOR ANTAGONISTS AND THEIR USE Nicholas Piramal India Limited (IN) 2006-07-12 EP disclosed
WO-2005035495-A2 FIBRINOGEN RECEPTOR ANTAGONISTS AND THEIR USE NICHOLAS PIRAMAL INDIA LIMITED (IN) 2005-04-21 WO disclosed