SCHEMBL7495012

SCHEMBL7495012

Cc1nc(-c2ccccc2)nc(NCC(=O)N2C[C@@H](C)N[C@@H](C)C2)c1C

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 7/20 0.46
PDE4D Q08499 6/20 0.46
USP1 O94782 1/20 0.39
WDR48 Q8TAF3 1/20 0.39
RXRA P19793 4/20 0.38
NR4A2 P43354 4/20 0.38
TSHR P16473 3/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
ADORA2A P29274 2/20 0.38
ADORA1 P30542 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.36
PTGS2 P35354 1/20 0.36
DPP4 P27487 1/20 0.36

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
SCHEMBL7504683 0.88 PDE4B (0.49) PDE4BPDE4DUSP1WDR48RXRA
SCHEMBL7497748 0.87 SMN1; SMN2 (0.49) PDE4BPDE4DTSHRALDH1A1LMNA
SCHEMBL7497746 0.87 SMN1; SMN2 (0.49) PDE4BPDE4DTSHRALDH1A1LMNA
SCHEMBL7505856 0.87 SMN1; SMN2 (0.49) PDE4BPDE4DTSHRALDH1A1LMNA
SCHEMBL7497742 0.87 SMN1; SMN2 (0.49) PDE4BPDE4DTSHRALDH1A1LMNA
SCHEMBL7502547 0.77 GLA (0.48) RXRANR4A2TSHRALDH1A1KDM4E
SCHEMBL7507216 0.70 PDE4B (0.46) PDE4BPDE4DTSHRALDH1A1KDM4E
SCHEMBL7499394 0.70 PDE4B (0.50) PDE4BPDE4DRXRANR4A2TSHR
SCHEMBL7500902 0.69 GHSR (0.39) LMNA
SCHEMBL7500897 0.69 GHSR (0.39) LMNA

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
EP-0826673-B1 ACETAMIDE DERIVATIVES, PROCESS FOR PRODUCING THE SAME, AND MEDICINAL COMPOSITION CONTAINING THE SAME DAINIPPON PHARMACEUTICAL CO (JP) 2002-11-20 EP disclosed