SCHEMBL6466005

SCHEMBL6466005

CC(C)(C)OC(=O)N1COC[C@@H]1C(N)=S

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.38
USP2 O75604 1/20 0.38
NR1H2 P55055 2/20 0.37
HTRA1 Q92743 1/20 0.35
RECQL P46063 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CCR2 P41597 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
NPC1 O15118 1/20 0.33
NR1H3 Q13133 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL6465932 0.88 USP2 (0.40) SMN1; SMN2USP2NR1H2HTRA1RECQL
SCHEMBL1021180 0.88 USP2 (0.40) SMN1; SMN2USP2NR1H2HTRA1RECQL
SCHEMBL23458178 0.85 SMN1; SMN2 (0.46) SMN1; SMN2USP2NR1H2RECQLHSD17B10
SCHEMBL31716576 0.83 PTPN1 (0.41) SMN1; SMN2USP2NR1H2RECQLHSD17B10
SCHEMBL8892617 0.83 PTPN1 (0.41) SMN1; SMN2USP2NR1H2RECQLHSD17B10
SCHEMBL1024057 0.83 HSD17B10 (0.43) SMN1; SMN2USP2NR1H2RECQLHSD17B10
SCHEMBL6448272 0.83 HSD17B10 (0.43) SMN1; SMN2USP2NR1H2RECQLHSD17B10
SCHEMBL17031907 0.83 USP2 (0.41) SMN1; SMN2USP2NR1H2RECQLHSD17B10
SCHEMBL23458177 0.77 SPHK1 (0.37) SMN1; SMN2USP2NR1H2HTRA1HSD17B10
SCHEMBL23458190 0.76 HSD17B10 (0.46) SMN1; SMN2NR1H2HSD17B10CHRM2CHRM1

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