SCHEMBL30284472

SCHEMBL30284472

Cc1ccc(C[C@H](CCl)NC(=NO)c2cc(C)nnc2Oc2cccc(Cl)c2)c(Cl)c1

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.32
HTR2A P28223 1/20 0.31
SLC6A4 P31645 1/20 0.31
KCNH2 Q12809 1/20 0.31
PTGER4 P35408 1/20 0.31
EGFR P00533 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
MAOB P27338 1/20 0.30

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
SCHEMBL29047935 0.88 PTGER4 (0.40) PTGER4CYP1A2CYP2C9CYP2C19
SCHEMBL30284352 0.88 PTGER4 (0.40) PTGER4CYP1A2CYP2C9CYP2C19
SCHEMBL31691624 0.86 SCN9A (0.30)
SCHEMBL29047941 0.77 CYP1A2 (0.34) HTR2ASLC6A4KCNH2PTGER4CYP1A2
SCHEMBL22116206 0.77 P2RY1 (0.34) MAPTPTGER4CYP1A2CYP2C9CYP2C19
SCHEMBL22116201 0.77 P2RY1 (0.34) MAPTPTGER4CYP1A2CYP2C9CYP2C19
SCHEMBL31691678 0.73 SCN9A (0.37) MAPTPTGER4
SCHEMBL31497143 0.73 DRD2 (0.31)
SCHEMBL30284379 0.72 PTGER4 (0.39) PTGER4CYP1A2CYP2C9CYP2C19
SCHEMBL29047942 0.72 PTGER4 (0.39) PTGER4CYP1A2CYP2C9CYP2C19

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-4168404-A1 3-(PYRIDAZIN-4-YL)-5,6-DIHYDRO-4H-1,2,4-OXADIAZINE DERIVATIVES AS FUNGICIDES FOR CROP PROTECTION Bayer Aktiengesellschaft (DE) 2023-04-26 EP disclosed