SCHEMBL2732497

SCHEMBL2732497

Cc1csc(C2CCCN2C(=O)c2cc(NS(C)(=O)=O)nc(-c3nnc(C(C)(N)Cc4ccccc4)o3)c2)n1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 3/20 0.38
TRPV1 Q8NER1 2/20 0.36
BACE2 Q9Y5Z0 1/20 0.36
CPT1A P50416 4/20 0.34
CPT2 P23786 3/20 0.34
CPT1B Q92523 1/20 0.34
NAA50 Q9GZZ1 1/20 0.33
AADAT Q8N5Z0 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
POLB P06746 1/20 0.32
BAZ2A Q9UIF9 1/20 0.32
PKM P14618 2/20 0.32
SCN9A Q15858 1/20 0.31

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
SCHEMBL10290679 1.00 BACE1 (0.38) BACE1TRPV1BACE2CPT1ACPT2
SCHEMBL2725845 1.00 BACE1 (0.38) BACE1TRPV1BACE2CPT1ACPT2
SCHEMBL2725842 1.00 BACE1 (0.38) BACE1TRPV1BACE2CPT1ACPT2
SCHEMBL2727686 0.93 TRPV1 (0.36) BACE1TRPV1CPT1ACPT2CPT1B
SCHEMBL6467190 0.91 TRPV1 (0.37) BACE1TRPV1BACE2CPT1ACPT2
SCHEMBL10291016 0.90 TRPV1 (0.37) BACE1TRPV1BACE2CPT1ACPT2
SCHEMBL2727018 0.90 TRPV1 (0.37) BACE1TRPV1BACE2CPT1ACPT2
SCHEMBL2727020 0.90 TRPV1 (0.37) BACE1TRPV1BACE2CPT1ACPT2
SCHEMBL6468850 0.90 TRPV1 (0.37) BACE1TRPV1BACE2CPT1ACPT2
SCHEMBL6466293 0.90 TRPV1 (0.36) BACE1TRPV1BACE2CPT1ACPT2

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 1 patent. 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