SCHEMBL2726748

SCHEMBL2726748

Cc1csc([C@H]2CCCN2C(=O)c2cc(-c3nnc([C@@](C)(Cc4ccccc4)NC(=O)O)o3)nc(N3CCCCC3=O)c2)n1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.35
TRPV1 Q8NER1 2/20 0.34
PKM P14618 2/20 0.33
KDM4E B2RXH2 2/20 0.33
NAA50 Q9GZZ1 1/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
RAB9A P51151 1/20 0.33
POLB P06746 1/20 0.33
CPT1A P50416 8/20 0.32
CPT2 P23786 7/20 0.32
CPT1B Q92523 3/20 0.31
TRPC3 Q13507 1/20 0.31
TRPC6 Q9Y210 1/20 0.31
AADAT Q8N5Z0 1/20 0.31
USP2 O75604 1/20 0.31
ALOX15 P16050 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL2726018 0.98 SMN1; SMN2 (0.35) SMN1; SMN2TRPV1PKMKDM4ENAA50
SCHEMBL10291014 0.93 SMN1; SMN2 (0.35) SMN1; SMN2TRPV1PKMKDM4ENAA50
SCHEMBL2728672 0.92 NAA50 (0.34) SMN1; SMN2TRPV1PKMKDM4ENAA50
SCHEMBL6468356 0.92 NAA50 (0.34) SMN1; SMN2TRPV1PKMKDM4ENAA50
SCHEMBL2728674 0.92 NAA50 (0.34) SMN1; SMN2TRPV1PKMKDM4ENAA50
SCHEMBL2726344 0.91 SMN1; SMN2 (0.35) SMN1; SMN2TRPV1PKMNAA50POLB
SCHEMBL2728191 0.90 SMN1; SMN2 (0.38) SMN1; SMN2TRPV1PKMNAA50POLB
SCHEMBL2727188 0.90 SMN1; SMN2 (0.34) SMN1; SMN2TRPV1NAA50POLBCPT1A
SCHEMBL6466803 0.90 SMN1; SMN2 (0.35) SMN1; SMN2TRPV1PKMKDM4ENAA50
SCHEMBL2725512 0.90 SMN1; SMN2 (0.35) SMN1; SMN2TRPV1PKMKDM4ENAA50

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