SCHEMBL6466955

SCHEMBL6466955

COC(=O)c1cc(C(C)=O)cc(C(=O)N2CCCC2c2nc(C)cs2)c1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BAZ2A Q9UIF9 1/20 0.41
POLB P06746 2/20 0.40
TRPV1 Q8NER1 4/20 0.39
HSP90AA1 P07900 2/20 0.39
HSP90AB1 P08238 2/20 0.39
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CPT2 P23786 2/20 0.39
CPT1A P50416 2/20 0.39
CPT1B Q92523 1/20 0.39
ROCK2 O75116 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
NAA50 Q9GZZ1 2/20 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
SCHEMBL166241 0.93 TRPV1 (0.42) BAZ2APOLBTRPV1HSP90AA1HSP90AB1
SCHEMBL166240 0.93 TRPV1 (0.42) BAZ2APOLBTRPV1HSP90AA1HSP90AB1
SCHEMBL6464489 0.91 POLB (0.39) BAZ2APOLBTRPV1HSP90AA1HSP90AB1
SCHEMBL10290636 0.90 BAZ2A (0.42) BAZ2APOLBTRPV1HSP90AA1HSP90AB1
SCHEMBL3513513 0.89 POLB (0.38) BAZ2APOLBTRPV1HSP90AA1HSP90AB1
SCHEMBL475795 0.89 TSHR (0.39) BAZ2APOLBTRPV1HSP90AA1HSP90AB1
SCHEMBL475663 0.89 POLB (0.38) BAZ2APOLBTRPV1HSP90AA1HSP90AB1
SCHEMBL3511063 0.89 TSHR (0.39) BAZ2APOLBTRPV1HSP90AA1HSP90AB1
SCHEMBL3514481 0.88 TSHR (0.38) BAZ2APOLBTRPV1HSP90AA1HSP90AB1
SCHEMBL2317005 0.88 TSHR (0.38) BAZ2APOLBTRPV1HSP90AA1HSP90AB1

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 disclosed