SCHEMBL29376709

SCHEMBL29376709

Cn1cc(CNc2cc(=O)c2=O)cn1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE1A P54750 11/20 0.43
PDE1B Q01064 11/20 0.43
PDE1C Q14123 11/20 0.43
PDE10A Q9Y233 7/20 0.42
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 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
SCHEMBL18944162 0.73 NPC1 (0.47) PDE1APDE1BPDE1CPDE10AALDH1A1
SCHEMBL29376603 0.72 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2
SCHEMBL28736466 0.71 PDE1A (0.47) PDE1APDE1BPDE1CPDE10AHPGD
SCHEMBL178397 0.70
SCHEMBL31212184 0.69 LTA4H (0.49) PDE1APDE1BPDE1CPDE10ASMN1; SMN2
SCHEMBL29376704 0.69 CYP2C9 (0.41) PDE1APDE1BPDE1C
SCHEMBL29374044 0.69 PDE1A (0.40) PDE1APDE1BPDE1C
SCHEMBL29394689 0.69 EPHX2 (0.42) PDE1APDE1BPDE1CPDE10A
SCHEMBL25546739 0.69
SCHEMBL16708779 0.68 SMN1; SMN2 (0.46) PDE10AALDH1A1HPGDSMN1; SMN2

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
CN-114026077-A Novel oxadiazole compounds for controlling or preventing phytopathogenic fungi PI工业有限公司 2022-02-08 CN claimed
CN-114026077-A Novel oxadiazole compounds for controlling or preventing phytopathogenic fungi PI工业有限公司 2022-02-08 CN disclosed