SCHEMBL4667807

SCHEMBL4667807

CC(=NOCc1cccc(C)c1)c1ccc(Cl)c(CNC(=O)CNC(=O)O)c1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
PPARG P37231 7/20 0.42
PPARA Q07869 5/20 0.42
HPGD P15428 1/20 0.42
POLB P06746 1/20 0.40
S1PR1 P21453 4/20 0.39
S1PR3 Q99500 1/20 0.39
MAOB P27338 1/20 0.39
HSP90AA1 P07900 1/20 0.38
CTSB P07858 1/20 0.38
GID4 Q8IVV7 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
NR1H4 Q96RI1 1/20 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
SCHEMBL26317 0.93 NPC1 (0.53) NPC1RAB9APPARGPPARAHPGD
SCHEMBL26318 0.93 NPC1 (0.53) NPC1RAB9APPARGPPARAHPGD
SCHEMBL3236733 0.88 NPC1 (0.49) NPC1RAB9APPARGPPARAHPGD
SCHEMBL18243 0.88 NPC1 (0.49) NPC1RAB9APPARGPPARAHPGD
SCHEMBL18217 0.81 NPC1 (0.52) NPC1RAB9APPARGPPARAMAOB
SCHEMBL18216 0.81 NPC1 (0.52) NPC1RAB9APPARGPPARAMAOB
SCHEMBL25344075 0.79 NPC1 (0.50) NPC1RAB9APPARGPPARAPOLB
SCHEMBL19566191 0.78 NPC1 (0.48) NPC1RAB9APPARGPPARAS1PR1
SCHEMBL3678880 0.77 RAB9A (0.47) NPC1RAB9APPARGPPARAPOLB
SCHEMBL3678882 0.77 RAB9A (0.47) NPC1RAB9APPARGPPARAPOLB

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-1980150-A1 Fungicidal mixtures based on triazolopyrimidine compounds BASF SE (DE) 2008-10-15 EP claimed
EP-1980150-A1 Fungicidal mixtures based on triazolopyrimidine compounds BASF SE (DE) 2008-10-15 EP disclosed