SCHEMBL2665979

SCHEMBL2665979

CCC(CC)C(=O)Nc1sc2c(c1N)CCC(c1ccccc1)C2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCGR P47871 6/20 0.51
PDE4B Q07343 2/20 0.48
PDE4D Q08499 2/20 0.48
TP53 P04637 2/20 0.41
TNIK Q9UKE5 1/20 0.41
MAPT P10636 4/20 0.40
POLB P06746 2/20 0.40
HTT P42858 2/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
HSD17B10 Q99714 1/20 0.40
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 2/20 0.37

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
SCHEMBL2648406 0.85 GCGR (0.70) GCGRMAPTPOLBHTTMAPK1
SCHEMBL9070769 0.80 PDE4B (0.48) PDE4BPDE4DTP53MAPTPOLB
SCHEMBL2665980 0.77 GCGR (0.42) GCGRMAPTTSHRMEN1KMT2A
SCHEMBL13963334 0.73 GCGR (0.50) GCGRPDE4BPDE4DTP53MAPT
SCHEMBL4041573 0.73 GCGR (0.61) GCGRMAPTPOLBHTTLMNA
SCHEMBL13963505 0.72 GCGR (0.58) GCGRTP53MAPTHTTNPC1
SCHEMBL13963028 0.72 PTPN1 (0.43) GCGRHTTLMNAMAPK1RAB9A
Diethylamine SCHEMBL30417292 0.71 TNF (0.57) PDE4BPDE4DTP53MAPTPOLB
SCHEMBL7929684 0.71 PDE4B (0.55) PDE4BPDE4DTP53TNIKMAPT
SCHEMBL21247383 0.71 MAPT (0.73) PDE4BPDE4DTP53MAPTPOLB

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-2004024066-A2 METHOD OF TREATING DIABETES AND RELATED CONDITIONS MERCK & CO., INC. (US) 2004-03-25 WO disclosed