SCHEMBL6466071

SCHEMBL6466071

Cc1csc([C@H]2CCCN2C(=O)c2cc(N)nc(C(=O)NN)c2)n1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.38
TRPV1 Q8NER1 3/20 0.38
BAZ2A Q9UIF9 1/20 0.37
TSHR P16473 1/20 0.37
KDM4E B2RXH2 1/20 0.36
USP2 O75604 1/20 0.36
ALOX15 P16050 1/20 0.36
HSD17B10 Q99714 1/20 0.36
GRM5 P41594 3/20 0.36
TRPC3 Q13507 1/20 0.35
TRPC6 Q9Y210 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NAA50 Q9GZZ1 2/20 0.35
KLKB1 P03952 1/20 0.35
HTT P42858 1/20 0.34

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
SCHEMBL10290632 0.89 TRPV1 (0.39) POLBTRPV1BAZ2ATSHRKDM4E
SCHEMBL2726629 0.89 TRPV1 (0.39) POLBTRPV1BAZ2ATSHRKDM4E
SCHEMBL2725310 0.88 TSHR (0.37) POLBTRPV1BAZ2ATSHRKDM4E
SCHEMBL2712515 0.88 POLB (0.36) POLBTRPV1BAZ2ATSHRKDM4E
SCHEMBL10290106 0.88 TSHR (0.37) POLBTRPV1BAZ2ATSHRKDM4E
SCHEMBL6468341 0.87 TRPV1 (0.38) POLBTRPV1BAZ2ATSHRKDM4E
SCHEMBL2726312 0.86 POLB (0.40) POLBTRPV1BAZ2ATSHRGRM5
SCHEMBL2713512 0.86 KDM4E (0.42) POLBTRPV1BAZ2ATSHRKDM4E
SCHEMBL2712501 0.85 KDM4E (0.40) POLBTRPV1BAZ2ATSHRKDM4E
SCHEMBL6467555 0.85 TRPV1 (0.41) POLBTRPV1BAZ2ATSHRKDM4E

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