SCHEMBL2726327

SCHEMBL2726327

Cc1csc(C2CCCN2C(=O)c2cccc(-c3nnc(C(C)(N)Cc4ccccc4)o3)c2)n1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 3/20 0.42
MEN1 O00255 2/20 0.41
NPC1 O15118 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
RAB9A P51151 2/20 0.41
KMT2A Q03164 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MAPK1 P28482 1/20 0.41
CPT2 P23786 4/20 0.41
CPT1A P50416 4/20 0.41
TRPV1 Q8NER1 1/20 0.39
BACE2 Q9Y5Z0 1/20 0.38
HCRTR1 O43613 5/20 0.38
HCRTR2 O43614 5/20 0.38
GRM5 P41594 2/20 0.38
CPT1B Q92523 2/20 0.38
AADAT Q8N5Z0 1/20 0.36
NAA50 Q9GZZ1 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
SCHEMBL2726325 1.00 BACE1 (0.42) BACE1MEN1NPC1ALDH1A1HPGD
SCHEMBL2726326 1.00 BACE1 (0.42) BACE1MEN1NPC1ALDH1A1HPGD
SCHEMBL2727427 0.98 CPT1A (0.44) BACE1MEN1NPC1ALDH1A1HPGD
SCHEMBL2727425 0.98 CPT1A (0.44) BACE1MEN1NPC1ALDH1A1HPGD
SCHEMBL2727429 0.98 CPT1A (0.44) BACE1MEN1NPC1ALDH1A1HPGD
SCHEMBL2726179 0.93 BACE1 (0.43) BACE1NPC1RAB9ASMN1; SMN2CPT2
SCHEMBL2726071 0.93 BACE1 (0.43) BACE1NPC1RAB9ASMN1; SMN2CPT2
SCHEMBL2726073 0.93 BACE1 (0.43) BACE1NPC1RAB9ASMN1; SMN2CPT2
SCHEMBL10290124 0.93 BACE1 (0.43) BACE1NPC1RAB9ASMN1; SMN2CPT2
SCHEMBL2728527 0.92 BACE1 (0.43) BACE1SMN1; SMN2CPT2CPT1ATRPV1

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
WO-2012054510-A1 OXADIAZOLE COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF COMENTIS, INC. (US) 2012-04-26 WO claimed
WO-2012054510-A1 OXADIAZOLE COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF COMENTIS, INC. (US) 2012-04-26 WO disclosed