SCHEMBL6464489

SCHEMBL6464489

COC(=O)c1cc(I)cc(C(=O)N2CCC[C@@H]2c2nc(C)cs2)c1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.39
TRPV1 Q8NER1 4/20 0.39
HSP90AA1 P07900 2/20 0.38
HSP90AB1 P08238 2/20 0.38
CPT1A P50416 3/20 0.38
CPT2 P23786 2/20 0.38
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CPT1B Q92523 1/20 0.38
ROCK2 O75116 1/20 0.37
BAZ2A Q9UIF9 1/20 0.36
NAA50 Q9GZZ1 2/20 0.36
ALOX15 P16050 1/20 0.35
HSD17B10 Q99714 1/20 0.35
GRM5 P41594 1/20 0.35

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
SCHEMBL166240 0.92 TRPV1 (0.42) POLBTRPV1HSP90AA1HSP90AB1CPT1A
SCHEMBL166241 0.92 TRPV1 (0.42) POLBTRPV1HSP90AA1HSP90AB1CPT1A
SCHEMBL6466955 0.91 BAZ2A (0.41) POLBTRPV1HSP90AA1HSP90AB1CPT1A
SCHEMBL10290636 0.89 BAZ2A (0.42) POLBTRPV1HSP90AA1HSP90AB1CPT1A
SCHEMBL6466401 0.89 TRPV1 (0.40) POLBTRPV1CPT1ACPT2TSHR
SCHEMBL2713636 0.89 TRPV1 (0.40) POLBTRPV1CPT1ACPT2TSHR
SCHEMBL475663 0.88 POLB (0.38) POLBTRPV1HSP90AA1HSP90AB1CPT1A
SCHEMBL475795 0.88 TSHR (0.39) POLBTRPV1HSP90AA1HSP90AB1CPT1A
SCHEMBL3513513 0.88 POLB (0.38) POLBTRPV1HSP90AA1HSP90AB1CPT1A
SCHEMBL3511063 0.88 TSHR (0.39) POLBTRPV1HSP90AA1HSP90AB1CPT1A

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