SCHEMBL30334331

SCHEMBL30334331

NC(=O)c1cc2c(cn1)CNC2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 2/20 0.40
KMT2A Q03164 1/20 0.40
LCK P06239 1/20 0.39
ADORA3 P0DMS8 1/20 0.37
TSHR P16473 1/20 0.37
MC4R P32245 1/20 0.37
ADRA1A P35348 1/20 0.37
MC3R P41968 1/20 0.37
NNMT P40261 3/20 0.36
PNMT P11086 1/20 0.36
LMNA P02545 1/20 0.34
PARP1 P09874 2/20 0.33
PARP2 Q9UGN5 2/20 0.33
KCNH2 Q12809 1/20 0.33
CHEK1 O14757 1/20 0.33
PARP3 Q9Y6F1 1/20 0.32
PRF1 P14222 1/20 0.32
OPRM1 P35372 1/20 0.32
GSK3B P49841 1/20 0.32
GRM2 Q14416 1/20 0.31

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
SCHEMBL3304946 0.83 KDM4E (0.43) KMT2ATSHR
Bromide SCHEMBL5549829 0.81 KDM4E (0.42) KMT2A
SCHEMBL14496946 0.77 MAPK1 (0.45) LCKLMNA
Hydrochloric Acid SCHEMBL5549802 0.76 MAPK1 (0.44) LCKLMNA
SCHEMBL18248727 0.76 NOS3 (0.52) SIRT6KMT2ALCKADORA3TSHR
SCHEMBL21805813 0.75 KMT2A (0.45) KMT2ATSHR
SCHEMBL30036680 0.74 SIRT6 (0.40) SIRT6KMT2ALCKADORA3TSHR
SCHEMBL19641430 0.74 SIRT6 (0.40) SIRT6KMT2ALCKADORA3TSHR
SCHEMBL30333440 0.74 CHRM2 (0.41) KMT2ATSHRPARP1
SCHEMBL30333095 0.72 TP53 (0.39) KMT2ALMNA

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-2023037253-A1 ISOXAZOLINE COMPOUNDS AND THEIR USE AS PEST CONTROL AGENTS PI INDUSTRIES LTD (IN) 2023-03-16 WO disclosed