SCHEMBL13121968

SCHEMBL13121968

CC1SC(NC2CCCCC2)=NC1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FYN P06241 1/20 0.37
ALDH1A1 P00352 2/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
KDM4E B2RXH2 2/20 0.34
GAA P10253 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
PDE4A P27815 3/20 0.33
CHRM3 P20309 2/20 0.33
PDE4B Q07343 2/20 0.33
PDE4C Q08493 2/20 0.33
PDE4D Q08499 2/20 0.33
KDM4C Q9H3R0 1/20 0.33
POLB P06746 1/20 0.32
SLC29A1 Q99808 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ADRA2A P08913 1/20 0.32
ADRA2B P18089 1/20 0.32
ADRA2C P18825 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
SCHEMBL1383344 1.00 FYN (0.37) FYNALDH1A1MAPTHPGDHSD17B10
SCHEMBL6394125 1.00 FYN (0.37) FYNALDH1A1MAPTHPGDHSD17B10
SCHEMBL1386664 1.00 FYN (0.37) FYNALDH1A1MAPTHPGDHSD17B10
Bromide SCHEMBL1605698 0.98 FYN (0.36) FYNALDH1A1MAPTHPGDHSD17B10
SCHEMBL1386152 0.79 FYN (0.35) FYNKDM4EGAANPSR1PDE4A
SCHEMBL1385640 0.79 SMN1; SMN2 (0.42) FYNALDH1A1MAPTGAAPDE4B
SCHEMBL1386530 0.79 FYN (0.35) FYNKDM4EGAANPSR1PDE4A
SCHEMBL1386746 0.79 SMN1; SMN2 (0.42) FYNALDH1A1MAPTGAAPDE4B
SCHEMBL5450660 0.79 SMN1; SMN2 (0.42) FYNALDH1A1MAPTGAAPDE4B
SCHEMBL1384124 0.79 SMN1; SMN2 (0.42) FYNALDH1A1MAPTGAAPDE4B

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
US-7807700-B2 Inhibitors of 11-β-hydroxy steroid dehydrogenase type 1 AMGEN INC. (US) 2010-10-05 US disclosed