SCHEMBL9845852

SCHEMBL9845852

CC(C)(C)OC(=O)CCN1C(=O)CSc2ccncc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.41
USP2 O75604 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.37
POLB P06746 2/20 0.37
ALDH1A1 P00352 5/20 0.37
LMNA P02545 2/20 0.37
SCN9A Q15858 1/20 0.36
SCN10A Q9Y5Y9 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
KDM4E B2RXH2 1/20 0.34
MAPT P10636 4/20 0.34
MAPK1 P28482 3/20 0.34
TSHR P16473 2/20 0.34
HTT P42858 2/20 0.33
MEN1 O00255 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
KMT2A Q03164 1/20 0.33
REN P00797 1/20 0.33
NPC1 O15118 1/20 0.33

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
SCHEMBL9850703 0.87 ALDH1A1 (0.46) NPSR1USP2SMN1; SMN2POLBALDH1A1
SCHEMBL9850726 0.82 NPSR1 (0.50) NPSR1USP2SMN1; SMN2POLBALDH1A1
SCHEMBL9845834 0.79 NPSR1 (0.53) NPSR1USP2ALDH1A1LMNAL3MBTL1
SCHEMBL9845812 0.78 KMT2A (0.47) NPSR1USP2ALDH1A1LMNAKDM4E
SCHEMBL9850796 0.77 REN (0.34) NPSR1ALDH1A1SCN9ASCN10AKDM4E
SCHEMBL5806069 0.75 MAPT (0.50) NPSR1SMN1; SMN2POLBALDH1A1MAPT
SCHEMBL4095906 0.73 ALDH1A1 (0.39) NPSR1USP2ALDH1A1LMNAMAPT
SCHEMBL19586294 0.72 NPSR1 (0.71) NPSR1POLBALDH1A1LMNATSHR
SCHEMBL7270855 0.70 MAPT (0.44) SMN1; SMN2POLBALDH1A1LMNAL3MBTL1
SCHEMBL7280026 0.70 NPSR1 (0.62) NPSR1SMN1; SMN2POLBALDH1A1LMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0445467-A1 Renin inhibitors and antiviral agents Beecham Group p.l.c. (GB) 1991-09-11 EP disclosed
EP-0416740-A2 Novel compounds with renin-inhibiting activity Beecham Group p.l.c. (GB) 1991-03-13 EP disclosed