SCHEMBL25759525

SCHEMBL25759525

CCc1nn(CC=O)c2ncccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.40
ALOX15 P16050 1/20 0.40
KDM4D Q6B0I6 1/20 0.40
COMT P21964 1/20 0.35
KDM4E B2RXH2 3/20 0.35
IDO1 P14902 2/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
HSP90AA1 P07900 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
PDE4A P27815 2/20 0.34
PDE4B Q07343 2/20 0.34
PDE4C Q08493 2/20 0.34
PDE4D Q08499 2/20 0.34
PDE2A O00408 1/20 0.34
PDE6D O43924 1/20 0.34
PDE8A O60658 1/20 0.34
PDE5A O76074 1/20 0.34

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
SCHEMBL12329417 0.83 L3MBTL1 (0.45) L3MBTL1ALOX15KDM4DPDE4APDE4B
SCHEMBL25757542 0.82 L3MBTL1 (0.60) L3MBTL1KDM4DKDM4EIDO1MEN1
SCHEMBL25757539 0.78 ALOX15 (0.49) L3MBTL1ALOX15KDM4DELANECNR1
SCHEMBL12329416 0.74 KDM4D (0.45) L3MBTL1ALOX15KDM4DPDE4APDE4B
SCHEMBL22272943 0.71 GSK3B (0.50) PDE10ACNR1CNR2
SCHEMBL20927195 0.71 MPO (0.42) L3MBTL1ALOX15KDM4DPDE4APDE4B
SCHEMBL17114779 0.66 KDM4E (0.46) L3MBTL1ALOX15KDM4DKDM4EIDO1
SCHEMBL24076933 0.65 ALOX15 (0.44) ALOX15MEN1KMT2APTGDR2
SCHEMBL13562830 0.65 L3MBTL1 (0.67) L3MBTL1KDM4ENPC1HSP90AA1PDE1A
SCHEMBL13368799 0.65 KDM4E (0.41) KDM4EMEN1KMT2APDE4APDE4B

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-2023098738-A1 COMPOUND CONTAINING OXADIAZOLE STRUCTURE AND PREPARATION METHOD THEREFOR AND USE THEREOF, AND FUNGICIDE 江苏中旗科技股份有限公司 2023-06-08 WO disclosed