SCHEMBL11046458

SCHEMBL11046458

CC(=O)Nc1ccc(C2=NNC(=O)CC2CO)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 12/20 0.71
PDE3A Q14432 12/20 0.71
SMN1; SMN2 Q16637 3/20 0.47
MAPT P10636 1/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
LMNA P02545 1/20 0.47
BLM P54132 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
PDE2A O00408 1/20 0.46
HTT P42858 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
TNNC1 P63316 1/20 0.44
NISCH Q9Y2I1 1/20 0.42
ERCC1 P07992 1/20 0.40

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
SCHEMBL6052809 0.90 PDE3B (0.71) PDE3BPDE3ASMN1; SMN2MAPTKDM4E
SCHEMBL6052812 0.90 PDE3B (0.71) PDE3BPDE3ASMN1; SMN2MAPTKDM4E
SCHEMBL3723998 0.83 PDE3B (1.00) PDE3BPDE3ASMN1; SMN2MAPTKDM4E
SCHEMBL3723997 0.83 PDE3B (1.00) PDE3BPDE3ASMN1; SMN2MAPTKDM4E
SCHEMBL10956557 0.81 PDE3B (0.48) PDE3BPDE3APDE2ATNNC1PDE4A
Methylamine SCHEMBL10474969 0.81 PDE3B (0.95) PDE3BPDE3ASMN1; SMN2MAPTKDM4E
Dimethylamine SCHEMBL10475180 0.81 PDE3B (0.95) PDE3BPDE3ASMN1; SMN2MAPTKDM4E
SCHEMBL10961657 0.80 PDE3B (0.45) PDE3BPDE3AMAPTKDM4EALDH1A1
SCHEMBL11013347 0.79 PDE3B (0.45) PDE3BPDE3ASMN1; SMN2MAPTLMNA
SCHEMBL10961794 0.78 GPR119 (0.54) PDE3BPDE3AALDH1A1PDE2ATNNC1

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-0129791-A2 Tetrahydropyridazinone derivatives, process for their preparation and their use CASSELLA Aktiengesellschaft (DE) 1985-01-02 EP disclosed