SCHEMBL2636714

SCHEMBL2636714

COc1ccc(COc2nccnc2OC(=O)O)cc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
POLB P06746 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
FFAR1 O14842 6/20 0.51
PLA2G4B P0C869 1/20 0.48
APP P05067 3/20 0.47
KDM5A P29375 1/20 0.47
KDM4C Q9H3R0 1/20 0.47
KDM5B Q9UGL1 1/20 0.47
HTT P42858 2/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
HRH3 Q9Y5N1 1/20 0.44
LDHA P00338 1/20 0.44
CNR1 P21554 1/20 0.44
CNR2 P34972 1/20 0.44
ALKBH1 Q13686 1/20 0.43

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
SCHEMBL2636206 0.87 HTT (0.49) NPC1RAB9APOLBSMN1; SMN2FFAR1
SCHEMBL2490121 0.83 NPC1 (0.59) NPC1RAB9APOLBSMN1; SMN2FFAR1
SCHEMBL2636713 0.82 RAB9A (0.57) NPC1RAB9APOLBSMN1; SMN2FFAR1
SCHEMBL871874 0.78 HTT (0.49) NPC1RAB9APOLBSMN1; SMN2FFAR1
SCHEMBL13412435 0.75 SMN1; SMN2 (0.53) NPC1RAB9APOLBSMN1; SMN2APP
SCHEMBL31658738 0.74 SMN1; SMN2 (0.57) NPC1RAB9APOLBSMN1; SMN2FFAR1
SCHEMBL16057847 0.73 LMNA (0.45) SMN1; SMN2ALDH1A1
SCHEMBL377060 0.73 NAPRT (0.36) ALDH1A1MAPT
SCHEMBL5377686 0.72 LTA4H (0.56) NPC1RAB9AAPPHTTALDH1A1
SCHEMBL292835 0.72 NPC1 (0.59) NPC1RAB9APOLBSMN1; SMN2FFAR1

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-2438071-A1 SUBSTITUTED PYRAZINE (THIO)PYRANS WITH A HERBICIDAL ACTION BASF SE (DE) 2012-04-11 EP disclosed
WO-2010139657-A1 SUBSTITUTED PYRAZINE (THIO)PYRANS WITH A HERBICIDAL ACTION BASF SE (DE) 2010-12-09 WO disclosed