SCHEMBL25757542

SCHEMBL25757542

Cc1nn(CC=O)c2ncccc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.60
PDE10A Q9Y233 1/20 0.41
HTT P42858 2/20 0.39
TSHR P16473 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PTGDR2 Q9Y5Y4 4/20 0.36
GLS O94925 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
HSP90AA1 P07900 1/20 0.36
IDO1 P14902 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
LMNA P02545 1/20 0.36
KDM4D Q6B0I6 1/20 0.36
SLC6A2 P23975 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35

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
SCHEMBL25759525 0.82 L3MBTL1 (0.40) L3MBTL1PDE10APTGDR2KDM4EMEN1
SCHEMBL13562830 0.80 L3MBTL1 (0.67) L3MBTL1PDE10AHTTTSHRSMN1; SMN2
SCHEMBL20552850 0.78 L3MBTL1 (0.63) L3MBTL1PDE10AHTTTSHRSMN1; SMN2
SCHEMBL4370720 0.76 GLS (0.58) L3MBTL1TSHRSMN1; SMN2GLSKDM4E
Formamide SCHEMBL28600746 0.73 L3MBTL1 (0.47) L3MBTL1KDM4ENPC1HSP90AA1KDM4D
SCHEMBL1638661 0.73 L3MBTL1 (0.53) L3MBTL1HTTTSHRKDM4EMEN1
SCHEMBL20161099 0.72 L3MBTL1 (0.72) L3MBTL1PDE10AHTTTSHRSMN1; SMN2
SCHEMBL1638732 0.72 L3MBTL1 (0.52) L3MBTL1PDE10AHTTTSHRSMN1; SMN2
SCHEMBL626956 0.71 L3MBTL1 (0.54) L3MBTL1PDE10AHTTKDM4ENPC1
SCHEMBL20551423 0.71 L3MBTL1 (0.54) L3MBTL1PDE10AHTTKDM4EMEN1

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