SCHEMBL2727429

SCHEMBL2727429

Cc1csc(C2CCCCN2C(=O)c2cccc(-c3nnc(C(C)(N)Cc4ccccc4)o3)c2)n1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CPT1A P50416 9/20 0.44
CPT2 P23786 8/20 0.44
MEN1 O00255 2/20 0.43
NPC1 O15118 2/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 2/20 0.43
RAB9A P51151 2/20 0.43
KMT2A Q03164 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MAPK1 P28482 1/20 0.43
BACE1 P56817 2/20 0.41
CPT1B Q92523 3/20 0.41
GRM5 P41594 5/20 0.40
BACE2 Q9Y5Z0 1/20 0.38
ABHD6 Q9BV23 1/20 0.37

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
SCHEMBL2727425 1.00 CPT1A (0.44) CPT1ACPT2MEN1NPC1ALDH1A1
SCHEMBL2727427 1.00 CPT1A (0.44) CPT1ACPT2MEN1NPC1ALDH1A1
SCHEMBL2726325 0.98 BACE1 (0.42) CPT1ACPT2MEN1NPC1ALDH1A1
SCHEMBL2726327 0.98 BACE1 (0.42) CPT1ACPT2MEN1NPC1ALDH1A1
SCHEMBL2726326 0.98 BACE1 (0.42) CPT1ACPT2MEN1NPC1ALDH1A1
SCHEMBL2726071 0.91 BACE1 (0.43) CPT1ACPT2NPC1RAB9ASMN1; SMN2
SCHEMBL10290124 0.91 BACE1 (0.43) CPT1ACPT2NPC1RAB9ASMN1; SMN2
SCHEMBL2726179 0.91 BACE1 (0.43) CPT1ACPT2NPC1RAB9ASMN1; SMN2
SCHEMBL2726073 0.91 BACE1 (0.43) CPT1ACPT2NPC1RAB9ASMN1; SMN2
SCHEMBL2727234 0.90 BACE1 (0.43) CPT1ACPT2SMN1; SMN2BACE1CPT1B

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